Cyclopentanecarboxylic acid, 1-(phenylthio)-
TL;DR: Cyclopentanecarboxylic acid, 1-(phenylthio)- (CAS 57557-65-0) is a chemical compound with molecular formula C12H14O2S and molecular weight 222.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenylsulfanylcyclopentane-1-carboxylic acid
Also Known As: 1-(phenylsulfanyl)cyclopentane-1-carboxylic acid, 1-(Phenylthio)cyclopentanecarboxylic acid, Cyclopentanecarboxylic acid, 1-(phenylthio)-, 1-phenylsulfanylcyclopentane-1-carboxylic acid, 1-(phenylsulfanyl)cyclopentane-1-carboxylicacid
| Molecular Formula | C12H14O2S |
|---|---|
| Molecular Weight | 222.07 g/mol |
| LogP | 3.1761 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 222.07146 |
| Heavy Atoms | 15 |
| Complexity | 341.89957 |
Chemical Identifiers
| CAS Number | 57557-65-0 |
|---|---|
| SMILES | C1CCC(C1)(C(=O)O)SC2=CC=CC=C2 |
Product Overview
Cyclopentanecarboxylic acid, 1-(phenylthio)- (CAS 57557-65-0), with molecular formula C12H14O2S and molecular weight 222.07 g/mol. IUPAC: 1-phenylsulfanylcyclopentane-1-carboxylic acid.
Chemical Property Profile of Cyclopentanecarboxylic acid, 1-(phenylthio)-
Property Insights of Cyclopentanecarboxylic acid, 1-(phenylthio)-
The XLogP value of 3.1761 indicates that Cyclopentanecarboxylic acid, 1-(phenylthio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, Cyclopentanecarboxylic acid, 1-(phenylthio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclopentanecarboxylic acid, 1-(phenylthio)- has 1 hydrogen bond donor(s) and 2 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 Cyclopentanecarboxylic acid, 1-(phenylthio)-?
The CAS number of Cyclopentanecarboxylic acid, 1-(phenylthio)- is 57557-65-0.
What is the molecular formula of Cyclopentanecarboxylic acid, 1-(phenylthio)-?
The molecular formula of Cyclopentanecarboxylic acid, 1-(phenylthio)- is C12H14O2S.
What is the molecular weight of Cyclopentanecarboxylic acid, 1-(phenylthio)-?
The molecular weight of Cyclopentanecarboxylic acid, 1-(phenylthio)- is 222.07 g/mol.
Where can I buy Cyclopentanecarboxylic acid, 1-(phenylthio)-?
You can request a quote for Cyclopentanecarboxylic acid, 1-(phenylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclopentanecarboxylic acid, 1-(phenylthio)-?
Yes, KEHONG BIO provides custom synthesis services for Cyclopentanecarboxylic acid, 1-(phenylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.