4-Mercaptophenylacetic acid
TL;DR: 4-Mercaptophenylacetic acid (CAS 1105191-49-8) is a chemical compound with molecular formula C8H8O2S and molecular weight 168.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-sulfanylphenyl)acetic acid
Also Known As: 4-Mercaptophenylacetic acid, 2-(4-mercaptophenyl)acetic acid, 2-(4-sulfanylphenyl)acetic Acid, 4-Mercaptobenzeneacetate, MPAA cpd
| Molecular Formula | C8H8O2S |
|---|---|
| Molecular Weight | 168.02 g/mol |
| LogP | 1.6024 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 168.0245 |
| Heavy Atoms | 11 |
| Complexity | 253.2995 |
Chemical Identifiers
| CAS Number | 1105191-49-8 |
|---|---|
| SMILES | C1=CC(=CC=C1CC(=O)O)S |
Product Overview
4-Mercaptophenylacetic acid (CAS 1105191-49-8), with molecular formula C8H8O2S and molecular weight 168.02 g/mol. IUPAC: 2-(4-sulfanylphenyl)acetic acid.
Chemical Property Profile of 4-Mercaptophenylacetic acid
Property Insights of 4-Mercaptophenylacetic acid
The XLogP value of 1.6024 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Mercaptophenylacetic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 4-Mercaptophenylacetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Mercaptophenylacetic acid has 2 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 4-Mercaptophenylacetic acid?
The CAS number of 4-Mercaptophenylacetic acid is 1105191-49-8.
What is the molecular formula of 4-Mercaptophenylacetic acid?
The molecular formula of 4-Mercaptophenylacetic acid is C8H8O2S.
What is the molecular weight of 4-Mercaptophenylacetic acid?
The molecular weight of 4-Mercaptophenylacetic acid is 168.02 g/mol.
Where can I buy 4-Mercaptophenylacetic acid?
You can request a quote for 4-Mercaptophenylacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Mercaptophenylacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Mercaptophenylacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.