3-(Phenylthio)-butyric acid
TL;DR: 3-(Phenylthio)-butyric acid (CAS 115395-14-7) is a chemical compound with molecular formula C10H12O2S and molecular weight 196.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenylsulfanylbutanoic acid
Also Known As: 3-(Phenylthio)butanoic acid, 3-phenylsulfanylbutanoic acid, 3-(Phenylthio)-butyric acid, Butanoic acid, 3-(phenylthio)-, (3R)-3-phenylsulfanylbutanoic acid
| Molecular Formula | C10H12O2S |
|---|---|
| Molecular Weight | 196.06 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 196.0558 |
| Heavy Atoms | 13 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 115395-14-7 |
|---|---|
| SMILES | CC(CC(=O)O)SC1=CC=CC=C1 |
| InChIKey | RRJPZQISWROTFP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Phenylthio)-butyric acid (CAS 115395-14-7), with molecular formula C10H12O2S and molecular weight 196.06 g/mol. IUPAC: 3-phenylsulfanylbutanoic acid.
Chemical Property Profile of 3-(Phenylthio)-butyric acid
Property Insights of 3-(Phenylthio)-butyric acid
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Phenylthio)-butyric acid. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Phenylthio)-butyric acid. Following Lipinski's Rule of Five, 3-(Phenylthio)-butyric 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 3-(Phenylthio)-butyric acid?
The CAS number of 3-(Phenylthio)-butyric acid is 115395-14-7.
What is the molecular formula of 3-(Phenylthio)-butyric acid?
The molecular formula of 3-(Phenylthio)-butyric acid is C10H12O2S.
What is the molecular weight of 3-(Phenylthio)-butyric acid?
The molecular weight of 3-(Phenylthio)-butyric acid is 196.06 g/mol.
Where can I buy 3-(Phenylthio)-butyric acid?
You can request a quote for 3-(Phenylthio)-butyric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Phenylthio)-butyric acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(Phenylthio)-butyric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.