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Ethyl 4-(6-guanidinohexanoyloxy)benzoate

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Identification
Molecular formula
C16H22N4O4
CAS number
7681-51-0
IUPAC name
ethyl 4-(6-guanidinohexanoyloxy)benzoate
State
State

At room temperature, ethyl 4-(6-guanidinohexanoyloxy)benzoate is typically found as a solid.

Melting point (Celsius)
105.00
Melting point (Kelvin)
378.00
Boiling point (Celsius)
375.00
Boiling point (Kelvin)
648.00
General information
Molecular weight
336.39g/mol
Molar mass
336.3940g/mol
Density
1.2000g/cm3
Appearence

Ethyl 4-(6-guanidinohexanoyloxy)benzoate appears as a white crystalline solid with a characteristic odor.

Comment on solubility

Solubility of Ethyl 4-(6-guanidinohexanoyloxy)benzoate

Ethyl 4-(6-guanidinohexanoyloxy)benzoate, with the chemical formula C16H22N4O4, presents an interesting profile in terms of solubility. Understanding the solubility of this compound is essential for its applications in various fields such as medicinal chemistry and material science.

General Characteristics:

  • The presence of both hydrophilic (guanidino) and hydrophobic (ethyl benzoate) groups in its structure suggests a potential for variable solubility in different solvents.
  • Typically, compounds containing multiple polar functional groups tend to exhibit enhanced solubility in polar solvents, particularly water and dimethyl sulfoxide (DMSO).
  • Conversely, its aromatic components and long carbon chain regions may hinder full solubility in highly polar environments, causing it to be less soluble in nonpolar solvents like hexane.

Factors Influencing Solubility:

The solubility of ethyl 4-(6-guanidinohexanoyloxy)benzoate can be influenced by several factors:

  • Temperature: Increased temperature generally enhances solubility due to higher molecular motion.
  • pH Levels: The ionization of the guanidino group can significantly impact solubility in aqueous solutions.
  • Solvent Polarity: The choice of solvent plays a crucial role, as its polarity can either stabilize or destabilize the compound's interactions.

In conclusion, while ethyl 4-(6-guanidinohexanoyloxy)benzoate shows potential for solubility in polar solvents due to its unique structure, the balance between its hydrophilic and hydrophobic characteristics creates a complexity that can only be fully understood through experimental investigation. Further studies could elucidate the precise solubility dynamics and enhance its practical applications.

Interesting facts

Interesting Facts about Ethyl 4-(6-guanidinohexanoyloxy)benzoate

Ethyl 4-(6-guanidinohexanoyloxy)benzoate is a fascinating compound with intriguing implications in both medicinal chemistry and biochemistry. Here are some key points about this compound that illustrate its significance:

  • Biological Relevance: This compound features a guanidino group, which is known for its ability to mimic arginine, a crucial amino acid in protein synthesis and signaling. The presence of guanidino groups has been linked to numerous biological activities, making this compound particularly interesting in the study of enzyme interactions and biosynthesis.
  • Potential Therapeutic Applications: Due to its structural characteristics, ethyl 4-(6-guanidinohexanoyloxy)benzoate may serve as a lead compound in the development of novel pharmaceuticals, particularly those targeting conditions related to metabolism and protein function.
  • Polymer Applications: The ester functional group in this compound opens avenues for polymerization processes. It might be explored for applications in drug delivery systems, where controlled release is essential.
  • Research in Drug Design: Researchers are continuously exploring compounds like ethyl 4-(6-guanidinohexanoyloxy)benzoate to understand their interactions with biomolecules. Studies may include the synthesis of analogs to improve efficacy or reduce toxicity.
  • Identity and Stability: As a hybrid organic compound, it reflects the interplay between organic chemistry and biological applications. Understanding its stability and reactivity is crucial for its use in various chemical reactions and applications.

In conclusion, ethyl 4-(6-guanidinohexanoyloxy)benzoate represents a unique intersection of organic chemistry and biological function, offering numerous possibilities for research and application. As scientists delve deeper into its properties, the compound may reveal more of its secrets that could lead to innovative solutions in the medical field.

Synonyms
gabexate
39492-01-8
Gabexate [INN]
Gabexato
Gabexatum
Gabexatum [INN-Latin]
ethyl 4-[6-(diaminomethylideneamino)hexanoyloxy]benzoate
Gabexato [INN-Spanish]
Gabexate (INN)
UNII-4V7M9137X9
Ethyl p-hydroxybenzoate 6-guanidinohexanoate
GABEXATE [JAN]
GABEXATE [MI]
GABEXATE [WHO-DD]
4V7M9137X9
CHEMBL87563
DTXSID9048566
Benzoic acid, 4-((6-((aminoiminomethyl)amino)-1-oxohexyl)oxy)-, ethyl ester
ethyl 4-(6-guanidinohexanoyloxy)benzoate
Gabexatum (INN-Latin)
Gabexato (INN-Spanish)
ethyl 4-({6-[(diaminomethylidene)amino]hexanoyl}oxy)benzoate
methanesulfonic acid ethyl 4-[(6-carbamimidamidohexanoyl)oxy]benzoate
GABEXATE METHANESULFONATE [MI]
ethyl 4-((6-carbamimidamidohexanoyl)oxy)benzoate
ethyl 4-(6-(diaminomethylideneamino)hexanoyloxy)benzoate
ETHYL 4-[(6-CARBAMIMIDAMIDOHEXANOYL)OXY]BENZOATE
Prestwick0_001008
Prestwick1_001008
Prestwick2_001008
Prestwick3_001008
BSPBio_001135
SCHEMBL446024
SPBio_003016
BPBio1_001249
GTPL7863
DTXCID2028195
SCHEMBL13287301
CHEBI:93036
YKGYIDJEEQRWQH-UHFFFAOYSA-N
BDBM50104435
DB12831
NCGC00025297-01
NCGC00025297-02
NCGC00025297-10
LS-14525
SBI-0207080.P001
Ethyl 4-((6-guanidinohexanoyl)oxy)benzoate
ethyl-p-(6-guanidinohex-anoyloxy)-benzoate
AB00513998
NS00068787
D08004
AB00513998_02
Q5515384
4-(6-Guanidino-hexanoyloxy)-benzoic acid ethyl ester
BRD-K59256312-066-03-3
BRD-K59256312-066-13-2
BRD-K59256312-066-14-0
BRD-K59256312-066-15-7
BRD-K59256312-066-16-5
4-[6-(diaminomethylideneamino)-1-oxohexoxy]benzoic acid ethyl ester
Benzoic acid, 4-[[6-[(aminoiminomethyl)amino]-1-oxohexyl]oxy]-, ethylester