beta-(S-Benzylmercapto)-beta,beta-cyclopentamethylenepropionic acid
TL;DR: beta-(S-Benzylmercapto)-beta,beta-cyclopentamethylenepropionic acid (CAS 6337-39-9) is a chemical compound with molecular formula C15H20O2S and molecular weight 264.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-benzylsulfanylcyclohexyl)acetic acid
Also Known As: S-Bzl-pmp-OH, AmbotzHAA6020, 2-(1-benzylsulfanylcyclohexyl)acetic acid, [1-(benzylsulfanyl)cyclohexyl]acetic acid, beta-(S-Benzylmercapto)-beta,beta-cyclopentamethylenepropionic acid
| Molecular Formula | C15H20O2S |
|---|---|
| Molecular Weight | 264.12 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 264.1184 |
| Heavy Atoms | 18 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 6337-39-9 |
|---|---|
| SMILES | C1CCC(CC1)(CC(=O)O)SCC2=CC=CC=C2 |
| InChIKey | ANTCXHQXYRYSLK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
beta-(S-Benzylmercapto)-beta,beta-cyclopentamethylenepropionic acid (CAS 6337-39-9), with molecular formula C15H20O2S and molecular weight 264.12 g/mol. IUPAC: 2-(1-benzylsulfanylcyclohexyl)acetic acid.
Chemical Property Profile of beta-(S-Benzylmercapto)-beta,beta-cyclopentamethylenepropionic acid
Property Insights of beta-(S-Benzylmercapto)-beta,beta-cyclopentamethylenepropionic acid
The XLogP value of 3.5 indicates that beta-(S-Benzylmercapto)-beta,beta-cyclopentamethylenepropionic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for beta-(S-Benzylmercapto)-beta,beta-cyclopentamethylenepropionic acid. Following Lipinski's Rule of Five, beta-(S-Benzylmercapto)-beta,beta-cyclopentamethylenepropionic acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of beta-(S-Benzylmercapto)-beta,beta-cyclopentamethylenepropionic acid?
The CAS number of beta-(S-Benzylmercapto)-beta,beta-cyclopentamethylenepropionic acid is 6337-39-9.
What is the molecular formula of beta-(S-Benzylmercapto)-beta,beta-cyclopentamethylenepropionic acid?
The molecular formula of beta-(S-Benzylmercapto)-beta,beta-cyclopentamethylenepropionic acid is C15H20O2S.
What is the molecular weight of beta-(S-Benzylmercapto)-beta,beta-cyclopentamethylenepropionic acid?
The molecular weight of beta-(S-Benzylmercapto)-beta,beta-cyclopentamethylenepropionic acid is 264.12 g/mol.
Where can I buy beta-(S-Benzylmercapto)-beta,beta-cyclopentamethylenepropionic acid?
You can request a quote for beta-(S-Benzylmercapto)-beta,beta-cyclopentamethylenepropionic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-(S-Benzylmercapto)-beta,beta-cyclopentamethylenepropionic acid?
Yes, KEHONG BIO provides custom synthesis services for beta-(S-Benzylmercapto)-beta,beta-cyclopentamethylenepropionic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.