![2-[(E)-2-Cyano-3-(4-hydroxy-3-methoxy-phenyl)-acryloylamino]-4-p-tolyl-thiophene-3-carboxylic acid ethyl ester structure](/static/products/116/1164555-83-2.png)
2-[(E)-2-Cyano-3-(4-hydroxy-3-methoxy-phenyl)-acryloylamino]-4-p-tolyl-thiophene-3-carboxylic acid ethyl ester
TL;DR: 2-[(E)-2-Cyano-3-(4-hydroxy-3-methoxy-phenyl)-acryloylamino]-4-p-tolyl-thiophene-3-carboxylic acid ethyl ester (CAS 1164555-83-2) is a chemical compound with molecular formula C25H22N2O5S and molecular weight 462.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[(E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino]-4-(4-methylphenyl)thiophene-3-carboxylate
Also Known As: 2-[(E)-2-Cyano-3-(4-hydroxy-3-methoxy-phenyl)-acryloylamino]-4-p-tolyl-thiophene-3-carboxylic acid ethyl ester, ethyl 2-[[(E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino]-4-(4-methylphenyl)thiophene-3-carboxylate, (E)-ethyl 2-(2-cyano-3-(4-hydroxy-3-methoxyphenyl)acrylamido)-4-(p-tolyl)thiophene-3-carboxylate, 2-[[(E)-2-cyano-3-(4-hydroxy-3-methoxy-phenyl)acryloyl]amino]-4-(p-tolyl)thiophene-3-carboxylic acid ethyl ester, 2-[[(E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)-1-oxoprop-2-enyl]amino]-4-(4-methylphenyl)-3-thiophenecarboxylic acid ethyl ester
| Molecular Formula | C25H22N2O5S |
|---|---|
| Molecular Weight | 462.12 g/mol |
| LogP | 5.1601 |
| Topological Polar Surface Area | 108.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 462.12494 |
| Heavy Atoms | 33 |
| Complexity | 1252.792 |
Chemical Identifiers
| CAS Number | 1164555-83-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=O)/C(=C/C3=CC(=C(C=C3)O)OC)/C#N |
Product Overview
2-[(E)-2-Cyano-3-(4-hydroxy-3-methoxy-phenyl)-acryloylamino]-4-p-tolyl-thiophene-3-carboxylic acid ethyl ester (CAS 1164555-83-2), with molecular formula C25H22N2O5S and molecular weight 462.12 g/mol. IUPAC: ethyl 2-[[(E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino]-4-(4-methylphenyl)thiophene-3-carboxylate.
Chemical Property Profile of 2-[(E)-2-Cyano-3-(4-hydroxy-3-methoxy-phenyl)-acryloylamino]-4-p-tolyl-thiophene-3-carboxylic acid ethyl ester
Property Insights of 2-[(E)-2-Cyano-3-(4-hydroxy-3-methoxy-phenyl)-acryloylamino]-4-p-tolyl-thiophene-3-carboxylic acid ethyl ester
The XLogP value of 5.1601 indicates that 2-[(E)-2-Cyano-3-(4-hydroxy-3-methoxy-phenyl)-acryloylamino]-4-p-tolyl-thiophene-3-carboxylic acid ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(E)-2-Cyano-3-(4-hydroxy-3-methoxy-phenyl)-acryloylamino]-4-p-tolyl-thiophene-3-carboxylic acid ethyl ester. Following Lipinski's Rule of Five, 2-[(E)-2-Cyano-3-(4-hydroxy-3-methoxy-phenyl)-acryloylamino]-4-p-tolyl-thiophene-3-carboxylic acid ethyl ester has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[(E)-2-Cyano-3-(4-hydroxy-3-methoxy-phenyl)-acryloylamino]-4-p-tolyl-thiophene-3-carboxylic acid ethyl ester?
The CAS number of 2-[(E)-2-Cyano-3-(4-hydroxy-3-methoxy-phenyl)-acryloylamino]-4-p-tolyl-thiophene-3-carboxylic acid ethyl ester is 1164555-83-2.
What is the molecular formula of 2-[(E)-2-Cyano-3-(4-hydroxy-3-methoxy-phenyl)-acryloylamino]-4-p-tolyl-thiophene-3-carboxylic acid ethyl ester?
The molecular formula of 2-[(E)-2-Cyano-3-(4-hydroxy-3-methoxy-phenyl)-acryloylamino]-4-p-tolyl-thiophene-3-carboxylic acid ethyl ester is C25H22N2O5S.
What is the molecular weight of 2-[(E)-2-Cyano-3-(4-hydroxy-3-methoxy-phenyl)-acryloylamino]-4-p-tolyl-thiophene-3-carboxylic acid ethyl ester?
The molecular weight of 2-[(E)-2-Cyano-3-(4-hydroxy-3-methoxy-phenyl)-acryloylamino]-4-p-tolyl-thiophene-3-carboxylic acid ethyl ester is 462.12 g/mol.
Where can I buy 2-[(E)-2-Cyano-3-(4-hydroxy-3-methoxy-phenyl)-acryloylamino]-4-p-tolyl-thiophene-3-carboxylic acid ethyl ester?
You can request a quote for 2-[(E)-2-Cyano-3-(4-hydroxy-3-methoxy-phenyl)-acryloylamino]-4-p-tolyl-thiophene-3-carboxylic 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-[(E)-2-Cyano-3-(4-hydroxy-3-methoxy-phenyl)-acryloylamino]-4-p-tolyl-thiophene-3-carboxylic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-[(E)-2-Cyano-3-(4-hydroxy-3-methoxy-phenyl)-acryloylamino]-4-p-tolyl-thiophene-3-carboxylic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.