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Benzopyran

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Identification
Molecular formula
C15H21ClNO4S
CAS number
123456-78-9
IUPAC name
N-[2-chloro-1-(3,4,5-trihydroxy-6-methylsulfanyl-tetrahydropyran-2-yl)propyl]-1-methyl-4-propyl-pyrrolidine-2-carboxamide
State
State

At room temperature, this compound is a solid.

Melting point (Celsius)
102.00
Melting point (Kelvin)
375.15
Boiling point (Celsius)
204.00
Boiling point (Kelvin)
477.15
General information
Molecular weight
349.85g/mol
Molar mass
274.3360g/mol
Density
1.2200g/cm3
Appearence

This compound appears as a white to off-white crystalline powder. It is typically odorless.

Comment on solubility

Solubility of N-[2-chloro-1-(3,4,5-trihydroxy-6-methylsulfanyl-tetrahydropyran-2-yl)propyl]-1-methyl-4-propyl-pyrrolidine-2-carboxamide

This compound, C15H21ClNO4S, presents intriguing challenges regarding its solubility. Solubility is influenced by several factors, which can lead to varying behaviors in different solvents. Here are some key points to consider:

  • Polarity: The presence of hydroxyl groups (-OH) in the trihydroxy component suggests that this compound may exhibit a degree of polarity, potentially enhancing its solubility in polar solvents like water.
  • Chlorine Atom: The incorporation of the chlorine atom may affect the overall solubility. Chlorine can complicate solubility, typically reducing solubility in non-polar solvents while improving it in some polar organic solvents.
  • Sulfanyl Group: The methylsulfanyl (-S-CH3) group offers unique interactions, possibly enhancing solubility in organic solvents and adding to the overall hydrophilicity of the compound.

When considering practical applications, it's important to note that:

  1. Experiments in various solvents may be necessary to determine the optimal conditions for dissolution.
  2. In biological systems, solubility can impact bioavailability, where a compound's ability to dissolve influences its absorption and distribution within organisms.
  3. Pay attention to temperature variations, as increased temperatures often lead to heightened solubility for many compounds.

Thus, a comprehensive understanding of the solubility characteristics of this compound can be pivotal for its effective use in pharmacological applications and other areas in chemical science.

Interesting facts

Interesting Facts about N-[2-chloro-1-(3,4,5-trihydroxy-6-methylsulfanyl-tetrahydropyran-2-yl)propyl]-1-methyl-4-propyl-pyrrolidine-2-carboxamide

This complex compound, commonly recognized for its diverse chemical structure, presents a fascinating array of properties and potential applications. Here are some noteworthy aspects:

  • Pharmacological Potential: The unique arrangement of functional groups suggests that this compound may display interesting pharmacological properties, possibly acting as a therapeutic agent in various medical conditions.
  • Tetrahydropyran Backbone: The presence of a tetrahydropyran ring is indicative of compounds often found in natural products and can enhance bioactivity, making it a likely candidate for drug development.
  • Hydroxyl Groups: The three attached hydroxyl (−OH) groups may contribute to the compound’s solubility in biological systems and its ability to interact with other molecules, such as proteins and enzymes.
  • Methylsulfanyl Group: The inclusion of a methylsulfanyl group introduces potential sulfur chemistry interactions, which can play a crucial role in biological processes and the development of new materials.
  • Structure-Activity Relationship: Researchers continually explore the relationship between chemical structure and biological activity through this compound, making it a subject of interest in medicinal chemistry.

This compound is a prime example of how intricate molecular designs can open up avenues for innovative therapeutic solutions. The complexity of its structure can lead to a host of possibilities in the realms of pharmacology and organic synthesis.

As quoted by a renowned chemist, “Chemistry is the experience of understanding the molecules that govern our very existence.” This compound encapsulates that profound connection between molecular design and its potential impacts on health and well-being.

Synonyms
1097774-72-5
N-{2-chloro-1-[3,4,5-trihydroxy-6-(methylsulfanyl)oxan-2-yl]propyl}-1-methyl-4-propylpyrrolidine-2-carboxamide
MLS001183714
methyl 7-chloro-6,7,8-trideoxy-6-[(1-methyl-4-propylprolyl)amino]-1-thiooctopyranoside
N-(2-Chloro-1-(3,4,5-trihydroxy-6-(methylthio)tetrahydro-2H-pyran-2-yl)propyl)-1-methyl-4-propylpyrrolidine-2-carboxamide
Cleocin
SMR000677917
7-CDL
MLS006011824
CHEMBL10766
SCHEMBL12356681
CHEBI:95137
DTXSID70860219
KDLRVYVGXIQJDK-UHFFFAOYSA-N
HMS2231K05
HMS3372M13
HMS3651N15
l-threo-.alpha.-d-Galacto-octopyranoside, methyl 7-chloro-6,7,8-trideoxy-6-[[(1-methyl-4-propyl-2-pyrrolidinyl)carbonyl]amino]-1-thio-, (2S-trans)-
Methyl 7-chloro-6,7,8-trideoxy-6-(1-methyl-trans-4-propyl-L-2-pyrrolidinecarboxamido)-1-thio-L-threo-.alpha.-D-galacto-octopyranoside
STK177246
AKOS005410727
N-[2-chloro-1-(3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl)propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide
N-[2-chloro-1-[3,4,5-trihydroxy-6-(methylthio)-2-oxanyl]propyl]-1-methyl-4-propyl-2-pyrrolidinecarboxamide
DB-044486
CS-0291705
NS00077368
EN300-51913
Q27166924
L-threo-d-Galacto-octopyranoside, methyl 7-chloro-6,7,8-trideoxy-6-(1-methyl-4-propyl-l-2-pyrrolidinecarboxamido)-1-thio-, trans- .alpha.-