(2E)-3-(4-Mercaptophenyl)-2-propenoic acid
TL;DR: (2E)-3-(4-Mercaptophenyl)-2-propenoic acid (CAS 28995-22-4) is a chemical compound with molecular formula C9H8O2S and molecular weight 180.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(4-sulfanylphenyl)prop-2-enoic acid
Also Known As: 4-MERCAPTOCINNAMIC ACID, 3-(4-Mercaptophenyl)acrylic acid, p-Mercapto-cinnamic Acid, g-mercaptocinnamic acid, trans-4-Mercaptocinnamic acid
| Molecular Formula | C9H8O2S |
|---|---|
| Molecular Weight | 180.02 g/mol |
| LogP | 2.0731 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.0245 |
| Heavy Atoms | 12 |
| Complexity | 300.8095 |
Chemical Identifiers
| CAS Number | 28995-22-4 |
|---|---|
| SMILES | C1=CC(=CC=C1/C=C/C(=O)O)S |
Product Overview
(2E)-3-(4-Mercaptophenyl)-2-propenoic acid (CAS 28995-22-4), with molecular formula C9H8O2S and molecular weight 180.02 g/mol. IUPAC: (E)-3-(4-sulfanylphenyl)prop-2-enoic acid.
Chemical Property Profile of (2E)-3-(4-Mercaptophenyl)-2-propenoic acid
Property Insights of (2E)-3-(4-Mercaptophenyl)-2-propenoic acid
The XLogP value of 2.0731 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-3-(4-Mercaptophenyl)-2-propenoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, (2E)-3-(4-Mercaptophenyl)-2-propenoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-3-(4-Mercaptophenyl)-2-propenoic 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 (2E)-3-(4-Mercaptophenyl)-2-propenoic acid?
The CAS number of (2E)-3-(4-Mercaptophenyl)-2-propenoic acid is 28995-22-4.
What is the molecular formula of (2E)-3-(4-Mercaptophenyl)-2-propenoic acid?
The molecular formula of (2E)-3-(4-Mercaptophenyl)-2-propenoic acid is C9H8O2S.
What is the molecular weight of (2E)-3-(4-Mercaptophenyl)-2-propenoic acid?
The molecular weight of (2E)-3-(4-Mercaptophenyl)-2-propenoic acid is 180.02 g/mol.
Where can I buy (2E)-3-(4-Mercaptophenyl)-2-propenoic acid?
You can request a quote for (2E)-3-(4-Mercaptophenyl)-2-propenoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-3-(4-Mercaptophenyl)-2-propenoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-(4-Mercaptophenyl)-2-propenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.