3-Chloro-2-(phenylsulfanyl)butanoic acid
TL;DR: 3-Chloro-2-(phenylsulfanyl)butanoic acid (CAS 42801-79-6) is a chemical compound with molecular formula C10H11ClO2S and molecular weight 230.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-2-phenylsulfanylbutanoic acid
Also Known As: 3-chloro-2-(phenylsulfanyl)butanoic acid, 3-chloro-2-(phenylthio)butanoic acid, 3-chloro-2-phenylsulfanylbutanoic acid, 3-chloro-2-phenylsulfanyl-butanoic Acid
| Molecular Formula | C10H11ClO2S |
|---|---|
| Molecular Weight | 230.02 g/mol |
| LogP | 2.8592 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 230.01683 |
| Heavy Atoms | 14 |
| Complexity | 300.25012 |
Chemical Identifiers
| CAS Number | 42801-79-6 |
|---|---|
| SMILES | CC(C(C(=O)O)SC1=CC=CC=C1)Cl |
Product Overview
3-Chloro-2-(phenylsulfanyl)butanoic acid (CAS 42801-79-6), with molecular formula C10H11ClO2S and molecular weight 230.02 g/mol. IUPAC: 3-chloro-2-phenylsulfanylbutanoic acid.
Chemical Property Profile of 3-Chloro-2-(phenylsulfanyl)butanoic acid
Property Insights of 3-Chloro-2-(phenylsulfanyl)butanoic acid
The XLogP value of 2.8592 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-2-(phenylsulfanyl)butanoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Chloro-2-(phenylsulfanyl)butanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-2-(phenylsulfanyl)butanoic acid 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 3-Chloro-2-(phenylsulfanyl)butanoic acid?
The CAS number of 3-Chloro-2-(phenylsulfanyl)butanoic acid is 42801-79-6.
What is the molecular formula of 3-Chloro-2-(phenylsulfanyl)butanoic acid?
The molecular formula of 3-Chloro-2-(phenylsulfanyl)butanoic acid is C10H11ClO2S.
What is the molecular weight of 3-Chloro-2-(phenylsulfanyl)butanoic acid?
The molecular weight of 3-Chloro-2-(phenylsulfanyl)butanoic acid is 230.02 g/mol.
Where can I buy 3-Chloro-2-(phenylsulfanyl)butanoic acid?
You can request a quote for 3-Chloro-2-(phenylsulfanyl)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-2-(phenylsulfanyl)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-2-(phenylsulfanyl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.