3-(3,4-Dimethoxyphenyl)-2-mercaptoacrylic acid
TL;DR: 3-(3,4-Dimethoxyphenyl)-2-mercaptoacrylic acid (CAS 97852-94-3) is a chemical compound with molecular formula C11H12O4S and molecular weight 240.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,4-dimethoxyphenyl)-2-sulfanylprop-2-enoic acid
Also Known As: 3-(3,4-Dimethoxyphenyl)-2-mercaptoacrylic acid, 3-(3,4-dimethoxyphenyl)-2-sulfanylprop-2-enoic acid, 3-(3,4-dimethoxyphenyl)-2-sulfanyl-prop-2-enoic Acid, beta-(3,4-Dimethoxy-phenyl)-alpha-mercapto-acrylsaeure
| Molecular Formula | C11H12O4S |
|---|---|
| Molecular Weight | 240.05 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 56.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 240.04562 |
| Heavy Atoms | 16 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 97852-94-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C=C(C(=O)O)S)OC |
| InChIKey | CBSSDYIFWLVFGD-UHFFFAOYSA-N |
Product Overview
3-(3,4-Dimethoxyphenyl)-2-mercaptoacrylic acid (CAS 97852-94-3), with molecular formula C11H12O4S and molecular weight 240.05 g/mol. IUPAC: 3-(3,4-dimethoxyphenyl)-2-sulfanylprop-2-enoic acid.
Chemical Property Profile of 3-(3,4-Dimethoxyphenyl)-2-mercaptoacrylic acid
Property Insights of 3-(3,4-Dimethoxyphenyl)-2-mercaptoacrylic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3,4-Dimethoxyphenyl)-2-mercaptoacrylic acid. With a topological polar surface area (TPSA) of 56.8 Ų, 3-(3,4-Dimethoxyphenyl)-2-mercaptoacrylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3,4-Dimethoxyphenyl)-2-mercaptoacrylic acid has 2 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-(3,4-Dimethoxyphenyl)-2-mercaptoacrylic acid?
The CAS number of 3-(3,4-Dimethoxyphenyl)-2-mercaptoacrylic acid is 97852-94-3.
What is the molecular formula of 3-(3,4-Dimethoxyphenyl)-2-mercaptoacrylic acid?
The molecular formula of 3-(3,4-Dimethoxyphenyl)-2-mercaptoacrylic acid is C11H12O4S.
What is the molecular weight of 3-(3,4-Dimethoxyphenyl)-2-mercaptoacrylic acid?
The molecular weight of 3-(3,4-Dimethoxyphenyl)-2-mercaptoacrylic acid is 240.05 g/mol.
Where can I buy 3-(3,4-Dimethoxyphenyl)-2-mercaptoacrylic acid?
You can request a quote for 3-(3,4-Dimethoxyphenyl)-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-(3,4-Dimethoxyphenyl)-2-mercaptoacrylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,4-Dimethoxyphenyl)-2-mercaptoacrylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.