2-Cyano-3-(5-nitro-2-thienyl)-2-propenoic acid ethyl ester
TL;DR: 2-Cyano-3-(5-nitro-2-thienyl)-2-propenoic acid ethyl ester (CAS 31510-37-9) is a chemical compound with molecular formula C10H8N2O4S and molecular weight 252.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-2-cyano-3-(5-nitrothiophen-2-yl)prop-2-enoate
Also Known As: Cyto9E2, BAS 00781937, jhqPRBLFxJs`AFIEvRJJJDqJEDiTlsVuPDAH, ethyl 2-cyano-3-(5-nitro-2-thienyl)acrylate, ethyl(2e)-2-cyano-3-(5-nitro-2-thienyl)acrylate
| Molecular Formula | C10H8N2O4S |
|---|---|
| Molecular Weight | 252.02 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 252.02048 |
| Heavy Atoms | 17 |
| Complexity | 393.0 |
Chemical Identifiers
| CAS Number | 31510-37-9 |
|---|---|
| SMILES | CCOC(=O)/C(=C/C1=CC=C(S1)[N+](=O)[O-])/C#N |
| InChIKey | FYIYSVHMODMIHZ-FNORWQNLSA-N |
Product Overview
2-Cyano-3-(5-nitro-2-thienyl)-2-propenoic acid ethyl ester (CAS 31510-37-9), with molecular formula C10H8N2O4S and molecular weight 252.02 g/mol. IUPAC: ethyl (E)-2-cyano-3-(5-nitrothiophen-2-yl)prop-2-enoate.
Chemical Property Profile of 2-Cyano-3-(5-nitro-2-thienyl)-2-propenoic acid ethyl ester
Property Insights of 2-Cyano-3-(5-nitro-2-thienyl)-2-propenoic acid ethyl ester
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyano-3-(5-nitro-2-thienyl)-2-propenoic acid ethyl ester. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Cyano-3-(5-nitro-2-thienyl)-2-propenoic acid ethyl ester. Following Lipinski's Rule of Five, 2-Cyano-3-(5-nitro-2-thienyl)-2-propenoic acid ethyl ester has 0 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-Cyano-3-(5-nitro-2-thienyl)-2-propenoic acid ethyl ester?
The CAS number of 2-Cyano-3-(5-nitro-2-thienyl)-2-propenoic acid ethyl ester is 31510-37-9.
What is the molecular formula of 2-Cyano-3-(5-nitro-2-thienyl)-2-propenoic acid ethyl ester?
The molecular formula of 2-Cyano-3-(5-nitro-2-thienyl)-2-propenoic acid ethyl ester is C10H8N2O4S.
What is the molecular weight of 2-Cyano-3-(5-nitro-2-thienyl)-2-propenoic acid ethyl ester?
The molecular weight of 2-Cyano-3-(5-nitro-2-thienyl)-2-propenoic acid ethyl ester is 252.02 g/mol.
Where can I buy 2-Cyano-3-(5-nitro-2-thienyl)-2-propenoic acid ethyl ester?
You can request a quote for 2-Cyano-3-(5-nitro-2-thienyl)-2-propenoic acid ethyl ester 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-(5-nitro-2-thienyl)-2-propenoic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyano-3-(5-nitro-2-thienyl)-2-propenoic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.