Ethyl 2-cyano-3-(5-nitrothiophen-3-yl)prop-2-enoate
TL;DR: Ethyl 2-cyano-3-(5-nitrothiophen-3-yl)prop-2-enoate (CAS 179951-75-8) 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 2-cyano-3-(5-nitrothiophen-3-yl)prop-2-enoate
Also Known As: ethyl 2-cyano-3-(5-nitrothiophen-3-yl)prop-2-enoate, ethyl (E)-2-cyano-3-(5-nitrothiophen-3-yl)prop-2-enoate, 2-Cyano-3-(5-nitro-3-thienyl)-2-propenoic acid ethyl ester
| Molecular Formula | C10H8N2O4S |
|---|---|
| Molecular Weight | 252.02 g/mol |
| LogP | 2.12638 |
| Topological Polar Surface Area | 93.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 252.02048 |
| Heavy Atoms | 17 |
| Complexity | 512.6207 |
Chemical Identifiers
| CAS Number | 179951-75-8 |
|---|---|
| SMILES | CCOC(=O)C(=CC1=CSC(=C1)[N+](=O)[O-])C#N |
Product Overview
Ethyl 2-cyano-3-(5-nitrothiophen-3-yl)prop-2-enoate (CAS 179951-75-8), with molecular formula C10H8N2O4S and molecular weight 252.02 g/mol. IUPAC: ethyl 2-cyano-3-(5-nitrothiophen-3-yl)prop-2-enoate.
Chemical Property Profile of Ethyl 2-cyano-3-(5-nitrothiophen-3-yl)prop-2-enoate
Property Insights of Ethyl 2-cyano-3-(5-nitrothiophen-3-yl)prop-2-enoate
The XLogP value of 2.12638 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-cyano-3-(5-nitrothiophen-3-yl)prop-2-enoate. The TPSA of 93.23 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-cyano-3-(5-nitrothiophen-3-yl)prop-2-enoate. Following Lipinski's Rule of Five, Ethyl 2-cyano-3-(5-nitrothiophen-3-yl)prop-2-enoate 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 Ethyl 2-cyano-3-(5-nitrothiophen-3-yl)prop-2-enoate?
The CAS number of Ethyl 2-cyano-3-(5-nitrothiophen-3-yl)prop-2-enoate is 179951-75-8.
What is the molecular formula of Ethyl 2-cyano-3-(5-nitrothiophen-3-yl)prop-2-enoate?
The molecular formula of Ethyl 2-cyano-3-(5-nitrothiophen-3-yl)prop-2-enoate is C10H8N2O4S.
What is the molecular weight of Ethyl 2-cyano-3-(5-nitrothiophen-3-yl)prop-2-enoate?
The molecular weight of Ethyl 2-cyano-3-(5-nitrothiophen-3-yl)prop-2-enoate is 252.02 g/mol.
Where can I buy Ethyl 2-cyano-3-(5-nitrothiophen-3-yl)prop-2-enoate?
You can request a quote for Ethyl 2-cyano-3-(5-nitrothiophen-3-yl)prop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-cyano-3-(5-nitrothiophen-3-yl)prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-cyano-3-(5-nitrothiophen-3-yl)prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.