(E)-ethyl 4-(4-chlorophenyl)-2-(2-cyano-3-(3,4-dimethoxyphenyl)acrylamido)thiophene-3-carboxylate
TL;DR: (E)-ethyl 4-(4-chlorophenyl)-2-(2-cyano-3-(3,4-dimethoxyphenyl)acrylamido)thiophene-3-carboxylate (CAS 374093-01-3) is a chemical compound with molecular formula C25H21ClN2O5S and molecular weight 496.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(4-chlorophenyl)-2-[[(E)-2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]thiophene-3-carboxylate
Also Known As: (E)-ethyl 4-(4-chlorophenyl)-2-(2-cyano-3-(3,4-dimethoxyphenyl)acrylamido)thiophene-3-carboxylate, ethyl 2-[(2E)-3-(3,4-dimethoxyphenyl)-2-cyanoprop-2-enoylamino]-4-(4-chlorophe nyl)thiophene-3-carboxylate, ethyl 4-(4-chlorophenyl)-2-[[(E)-2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]thiophene-3-carboxylate, ethyl 4-(4-chlorophenyl)-2-{[(2E)-2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino}thiophene-3-carboxylate
| Molecular Formula | C25H21ClN2O5S |
|---|---|
| Molecular Weight | 496.09 g/mol |
| LogP | 5.80808 |
| Topological Polar Surface Area | 97.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 496.08597 |
| Heavy Atoms | 34 |
| Complexity | 1275.4484 |
Chemical Identifiers
| CAS Number | 374093-01-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Cl)NC(=O)/C(=C/C3=CC(=C(C=C3)OC)OC)/C#N |
Product Overview
(E)-ethyl 4-(4-chlorophenyl)-2-(2-cyano-3-(3,4-dimethoxyphenyl)acrylamido)thiophene-3-carboxylate (CAS 374093-01-3), with molecular formula C25H21ClN2O5S and molecular weight 496.09 g/mol. IUPAC: ethyl 4-(4-chlorophenyl)-2-[[(E)-2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]thiophene-3-carboxylate.
Chemical Property Profile of (E)-ethyl 4-(4-chlorophenyl)-2-(2-cyano-3-(3,4-dimethoxyphenyl)acrylamido)thiophene-3-carboxylate
Property Insights of (E)-ethyl 4-(4-chlorophenyl)-2-(2-cyano-3-(3,4-dimethoxyphenyl)acrylamido)thiophene-3-carboxylate
The XLogP value of 5.80808 indicates that (E)-ethyl 4-(4-chlorophenyl)-2-(2-cyano-3-(3,4-dimethoxyphenyl)acrylamido)thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.65 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-ethyl 4-(4-chlorophenyl)-2-(2-cyano-3-(3,4-dimethoxyphenyl)acrylamido)thiophene-3-carboxylate. Following Lipinski's Rule of Five, (E)-ethyl 4-(4-chlorophenyl)-2-(2-cyano-3-(3,4-dimethoxyphenyl)acrylamido)thiophene-3-carboxylate has 1 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 (E)-ethyl 4-(4-chlorophenyl)-2-(2-cyano-3-(3,4-dimethoxyphenyl)acrylamido)thiophene-3-carboxylate?
The CAS number of (E)-ethyl 4-(4-chlorophenyl)-2-(2-cyano-3-(3,4-dimethoxyphenyl)acrylamido)thiophene-3-carboxylate is 374093-01-3.
What is the molecular formula of (E)-ethyl 4-(4-chlorophenyl)-2-(2-cyano-3-(3,4-dimethoxyphenyl)acrylamido)thiophene-3-carboxylate?
The molecular formula of (E)-ethyl 4-(4-chlorophenyl)-2-(2-cyano-3-(3,4-dimethoxyphenyl)acrylamido)thiophene-3-carboxylate is C25H21ClN2O5S.
What is the molecular weight of (E)-ethyl 4-(4-chlorophenyl)-2-(2-cyano-3-(3,4-dimethoxyphenyl)acrylamido)thiophene-3-carboxylate?
The molecular weight of (E)-ethyl 4-(4-chlorophenyl)-2-(2-cyano-3-(3,4-dimethoxyphenyl)acrylamido)thiophene-3-carboxylate is 496.09 g/mol.
Where can I buy (E)-ethyl 4-(4-chlorophenyl)-2-(2-cyano-3-(3,4-dimethoxyphenyl)acrylamido)thiophene-3-carboxylate?
You can request a quote for (E)-ethyl 4-(4-chlorophenyl)-2-(2-cyano-3-(3,4-dimethoxyphenyl)acrylamido)thiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-ethyl 4-(4-chlorophenyl)-2-(2-cyano-3-(3,4-dimethoxyphenyl)acrylamido)thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (E)-ethyl 4-(4-chlorophenyl)-2-(2-cyano-3-(3,4-dimethoxyphenyl)acrylamido)thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.