2-Cyano-3-(2-thienyl)acrylic acid
TL;DR: 2-Cyano-3-(2-thienyl)acrylic acid (CAS 58177-58-5) is a chemical compound with molecular formula C8H5NO2S and molecular weight 179.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-2-cyano-3-thiophen-2-ylprop-2-enoic acid
Also Known As: 2-cyano-3-(2-thienyl)acrylic acid, HcND`IWPBDigy[JiekZAEP, diethyleneglycolethylmethylether, 2-CYANO-3- ACRYLICACID, 2-Cyano-3-(thien-2-yl)acrylic acid
| Molecular Formula | C8H5NO2S |
|---|---|
| Molecular Weight | 179.00 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 89.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 179.0041 |
| Heavy Atoms | 12 |
| Complexity | 263.0 |
Chemical Identifiers
| CAS Number | 58177-58-5 |
|---|---|
| SMILES | C1=CSC(=C1)/C=C(/C#N)\C(=O)O |
| InChIKey | QYGBYAQGBVHMDD-XQRVVYSFSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Cyano-3-(2-thienyl)acrylic acid (CAS 58177-58-5), with molecular formula C8H5NO2S and molecular weight 179.00 g/mol. IUPAC: (Z)-2-cyano-3-thiophen-2-ylprop-2-enoic acid.
Chemical Property Profile of 2-Cyano-3-(2-thienyl)acrylic acid
Property Insights of 2-Cyano-3-(2-thienyl)acrylic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyano-3-(2-thienyl)acrylic acid. The TPSA of 89.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Cyano-3-(2-thienyl)acrylic acid. Following Lipinski's Rule of Five, 2-Cyano-3-(2-thienyl)acrylic 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 2-Cyano-3-(2-thienyl)acrylic acid?
The CAS number of 2-Cyano-3-(2-thienyl)acrylic acid is 58177-58-5.
What is the molecular formula of 2-Cyano-3-(2-thienyl)acrylic acid?
The molecular formula of 2-Cyano-3-(2-thienyl)acrylic acid is C8H5NO2S.
What is the molecular weight of 2-Cyano-3-(2-thienyl)acrylic acid?
The molecular weight of 2-Cyano-3-(2-thienyl)acrylic acid is 179.00 g/mol.
Where can I buy 2-Cyano-3-(2-thienyl)acrylic acid?
You can request a quote for 2-Cyano-3-(2-thienyl)acrylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyano-3-(2-thienyl)acrylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyano-3-(2-thienyl)acrylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.