3-(3,4-Dimethoxyphenyl)-2-sulfanylidenepropanoic acid
TL;DR: 3-(3,4-Dimethoxyphenyl)-2-sulfanylidenepropanoic acid (CAS 856095-56-2) 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-sulfanylidenepropanoic acid
Also Known As: 3-(3,4-dimethoxy-phenyl)-2-thioxo-propionic acid, 3-(3,4-dimethoxyphenyl)-2-sulfanylidenepropanoic acid, 3-(3,4-dimethoxyphenyl)-2-sulfanylidene-propanoic Acid
| Molecular Formula | C11H12O4S |
|---|---|
| Molecular Weight | 240.05 g/mol |
| LogP | 1.7008 |
| Topological Polar Surface Area | 55.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 240.04562 |
| Heavy Atoms | 16 |
| Complexity | 414.44562 |
Chemical Identifiers
| CAS Number | 856095-56-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CC(=S)C(=O)O)OC |
Product Overview
3-(3,4-Dimethoxyphenyl)-2-sulfanylidenepropanoic acid (CAS 856095-56-2), with molecular formula C11H12O4S and molecular weight 240.05 g/mol. IUPAC: 3-(3,4-dimethoxyphenyl)-2-sulfanylidenepropanoic acid.
Chemical Property Profile of 3-(3,4-Dimethoxyphenyl)-2-sulfanylidenepropanoic acid
Property Insights of 3-(3,4-Dimethoxyphenyl)-2-sulfanylidenepropanoic acid
The XLogP value of 1.7008 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3,4-Dimethoxyphenyl)-2-sulfanylidenepropanoic acid. With a topological polar surface area (TPSA) of 55.76 Ų, 3-(3,4-Dimethoxyphenyl)-2-sulfanylidenepropanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3,4-Dimethoxyphenyl)-2-sulfanylidenepropanoic acid has 1 hydrogen bond donor(s) and 4 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-sulfanylidenepropanoic acid?
The CAS number of 3-(3,4-Dimethoxyphenyl)-2-sulfanylidenepropanoic acid is 856095-56-2.
What is the molecular formula of 3-(3,4-Dimethoxyphenyl)-2-sulfanylidenepropanoic acid?
The molecular formula of 3-(3,4-Dimethoxyphenyl)-2-sulfanylidenepropanoic acid is C11H12O4S.
What is the molecular weight of 3-(3,4-Dimethoxyphenyl)-2-sulfanylidenepropanoic acid?
The molecular weight of 3-(3,4-Dimethoxyphenyl)-2-sulfanylidenepropanoic acid is 240.05 g/mol.
Where can I buy 3-(3,4-Dimethoxyphenyl)-2-sulfanylidenepropanoic acid?
You can request a quote for 3-(3,4-Dimethoxyphenyl)-2-sulfanylidenepropanoic 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-sulfanylidenepropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,4-Dimethoxyphenyl)-2-sulfanylidenepropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.