2-Sulfanyl-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid
TL;DR: 2-Sulfanyl-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid (CAS 78829-07-9) is a chemical compound with molecular formula C12H14O5S and molecular weight 270.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-sulfanyl-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid
Also Known As: 2-sulfanyl-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid, (E)-2-sulfanyl-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid
| Molecular Formula | C12H14O5S |
|---|---|
| Molecular Weight | 270.06 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 66.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 270.05618 |
| Heavy Atoms | 18 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 78829-07-9 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C=C(C(=O)O)S |
| InChIKey | XXDLJJIHRZCXLC-UHFFFAOYSA-N |
Product Overview
2-Sulfanyl-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid (CAS 78829-07-9), with molecular formula C12H14O5S and molecular weight 270.06 g/mol. IUPAC: 2-sulfanyl-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid.
Chemical Property Profile of 2-Sulfanyl-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid
Property Insights of 2-Sulfanyl-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Sulfanyl-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid. The TPSA of 66.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Sulfanyl-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid. Following Lipinski's Rule of Five, 2-Sulfanyl-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid has 2 hydrogen bond donor(s) and 6 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 2-Sulfanyl-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid?
The CAS number of 2-Sulfanyl-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid is 78829-07-9.
What is the molecular formula of 2-Sulfanyl-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid?
The molecular formula of 2-Sulfanyl-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid is C12H14O5S.
What is the molecular weight of 2-Sulfanyl-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid?
The molecular weight of 2-Sulfanyl-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid is 270.06 g/mol.
Where can I buy 2-Sulfanyl-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid?
You can request a quote for 2-Sulfanyl-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Sulfanyl-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Sulfanyl-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.