3-(4-Hydroxy-3-methoxyphenyl)-2-mercaptoacrylic acid
TL;DR: 3-(4-Hydroxy-3-methoxyphenyl)-2-mercaptoacrylic acid (CAS 96802-90-3) is a chemical compound with molecular formula C10H10O4S and molecular weight 226.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-3-(4-hydroxy-3-methoxyphenyl)-2-sulfanylprop-2-enoic acid
Also Known As: 3-(4-Hydroxy-3-methoxyphenyl)-2-mercaptoacrylic acid, 3-(4-hydroxy-3-methoxy-phenyl)-2-sulfanyl-prop-2-enoic Acid, (Z)-3-(4-hydroxy-3-methoxyphenyl)-2-sulfanylprop-2-enoic acid
| Molecular Formula | C10H10O4S |
|---|---|
| Molecular Weight | 226.03 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 67.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 226.02998 |
| Heavy Atoms | 15 |
| Complexity | 264.0 |
Chemical Identifiers
| CAS Number | 96802-90-3 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C(/C(=O)O)\S)O |
| InChIKey | QZPYQRRHHPFSPL-UITAMQMPSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(4-Hydroxy-3-methoxyphenyl)-2-mercaptoacrylic acid (CAS 96802-90-3), with molecular formula C10H10O4S and molecular weight 226.03 g/mol. IUPAC: (Z)-3-(4-hydroxy-3-methoxyphenyl)-2-sulfanylprop-2-enoic acid.
Chemical Property Profile of 3-(4-Hydroxy-3-methoxyphenyl)-2-mercaptoacrylic acid
Property Insights of 3-(4-Hydroxy-3-methoxyphenyl)-2-mercaptoacrylic acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Hydroxy-3-methoxyphenyl)-2-mercaptoacrylic acid. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Hydroxy-3-methoxyphenyl)-2-mercaptoacrylic acid. Following Lipinski's Rule of Five, 3-(4-Hydroxy-3-methoxyphenyl)-2-mercaptoacrylic acid has 3 hydrogen bond donor(s) and 5 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-(4-Hydroxy-3-methoxyphenyl)-2-mercaptoacrylic acid?
The CAS number of 3-(4-Hydroxy-3-methoxyphenyl)-2-mercaptoacrylic acid is 96802-90-3.
What is the molecular formula of 3-(4-Hydroxy-3-methoxyphenyl)-2-mercaptoacrylic acid?
The molecular formula of 3-(4-Hydroxy-3-methoxyphenyl)-2-mercaptoacrylic acid is C10H10O4S.
What is the molecular weight of 3-(4-Hydroxy-3-methoxyphenyl)-2-mercaptoacrylic acid?
The molecular weight of 3-(4-Hydroxy-3-methoxyphenyl)-2-mercaptoacrylic acid is 226.03 g/mol.
Where can I buy 3-(4-Hydroxy-3-methoxyphenyl)-2-mercaptoacrylic acid?
You can request a quote for 3-(4-Hydroxy-3-methoxyphenyl)-2-mercaptoacrylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Hydroxy-3-methoxyphenyl)-2-mercaptoacrylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Hydroxy-3-methoxyphenyl)-2-mercaptoacrylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.