3-((2-Chlorophenyl)sulfanyl)propanoic acid
TL;DR: 3-((2-Chlorophenyl)sulfanyl)propanoic acid (CAS 99585-16-7) is a chemical compound with molecular formula C9H9ClO2S and molecular weight 216.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-chlorophenyl)sulfanylpropanoic acid
Also Known As: 3-(2-Chloro-phenylsulfanyl)-propionic acid, 3-[(2-chlorophenyl)sulfanyl]propanoic acid, 3- -PROPIONICACID, 3-(2-chlorophenyl)sulfanylpropanoic acid, 3-((2-Chlorophenyl)thio)propanoic acid
| Molecular Formula | C9H9ClO2S |
|---|---|
| Molecular Weight | 216.00 g/mol |
| LogP | 2.9068 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 216.00117 |
| Heavy Atoms | 13 |
| Complexity | 301.4211 |
Chemical Identifiers
| CAS Number | 99585-16-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)SCCC(=O)O)Cl |
Product Overview
3-((2-Chlorophenyl)sulfanyl)propanoic acid (CAS 99585-16-7), with molecular formula C9H9ClO2S and molecular weight 216.00 g/mol. IUPAC: 3-(2-chlorophenyl)sulfanylpropanoic acid.
Chemical Property Profile of 3-((2-Chlorophenyl)sulfanyl)propanoic acid
Property Insights of 3-((2-Chlorophenyl)sulfanyl)propanoic acid
The XLogP value of 2.9068 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((2-Chlorophenyl)sulfanyl)propanoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 3-((2-Chlorophenyl)sulfanyl)propanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-((2-Chlorophenyl)sulfanyl)propanoic 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-((2-Chlorophenyl)sulfanyl)propanoic acid?
The CAS number of 3-((2-Chlorophenyl)sulfanyl)propanoic acid is 99585-16-7.
What is the molecular formula of 3-((2-Chlorophenyl)sulfanyl)propanoic acid?
The molecular formula of 3-((2-Chlorophenyl)sulfanyl)propanoic acid is C9H9ClO2S.
What is the molecular weight of 3-((2-Chlorophenyl)sulfanyl)propanoic acid?
The molecular weight of 3-((2-Chlorophenyl)sulfanyl)propanoic acid is 216.00 g/mol.
Where can I buy 3-((2-Chlorophenyl)sulfanyl)propanoic acid?
You can request a quote for 3-((2-Chlorophenyl)sulfanyl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((2-Chlorophenyl)sulfanyl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-((2-Chlorophenyl)sulfanyl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.