(Z)-ethyl 4-(4-chlorophenyl)-2-(2-cyano-3-(4-(dimethylamino)phenyl)acrylamido)thiophene-3-carboxylate
TL;DR: (Z)-ethyl 4-(4-chlorophenyl)-2-(2-cyano-3-(4-(dimethylamino)phenyl)acrylamido)thiophene-3-carboxylate (CAS 327075-62-7) is a chemical compound with molecular formula C25H22ClN3O3S and molecular weight 479.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(4-chlorophenyl)-2-[[(Z)-2-cyano-3-[4-(dimethylamino)phenyl]prop-2-enoyl]amino]thiophene-3-carboxylate
Also Known As: (Z)-ethyl 4-(4-chlorophenyl)-2-(2-cyano-3-(4-(dimethylamino)phenyl)acrylamido)thiophene-3-carboxylate, ethyl 4-(4-chlorophenyl)-2-[[(Z)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate
| Molecular Formula | C25H22ClN3O3S |
|---|---|
| Molecular Weight | 479.11 g/mol |
| LogP | 5.85688 |
| Topological Polar Surface Area | 82.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 479.10703 |
| Heavy Atoms | 33 |
| Complexity | 1223.2782 |
Chemical Identifiers
| CAS Number | 327075-62-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Cl)NC(=O)/C(=C\C3=CC=C(C=C3)N(C)C)/C#N |
Product Overview
(Z)-ethyl 4-(4-chlorophenyl)-2-(2-cyano-3-(4-(dimethylamino)phenyl)acrylamido)thiophene-3-carboxylate (CAS 327075-62-7), with molecular formula C25H22ClN3O3S and molecular weight 479.11 g/mol. IUPAC: ethyl 4-(4-chlorophenyl)-2-[[(Z)-2-cyano-3-[4-(dimethylamino)phenyl]prop-2-enoyl]amino]thiophene-3-carboxylate.
Chemical Property Profile of (Z)-ethyl 4-(4-chlorophenyl)-2-(2-cyano-3-(4-(dimethylamino)phenyl)acrylamido)thiophene-3-carboxylate
Property Insights of (Z)-ethyl 4-(4-chlorophenyl)-2-(2-cyano-3-(4-(dimethylamino)phenyl)acrylamido)thiophene-3-carboxylate
The XLogP value of 5.85688 indicates that (Z)-ethyl 4-(4-chlorophenyl)-2-(2-cyano-3-(4-(dimethylamino)phenyl)acrylamido)thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.43 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-ethyl 4-(4-chlorophenyl)-2-(2-cyano-3-(4-(dimethylamino)phenyl)acrylamido)thiophene-3-carboxylate. Following Lipinski's Rule of Five, (Z)-ethyl 4-(4-chlorophenyl)-2-(2-cyano-3-(4-(dimethylamino)phenyl)acrylamido)thiophene-3-carboxylate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (Z)-ethyl 4-(4-chlorophenyl)-2-(2-cyano-3-(4-(dimethylamino)phenyl)acrylamido)thiophene-3-carboxylate?
The CAS number of (Z)-ethyl 4-(4-chlorophenyl)-2-(2-cyano-3-(4-(dimethylamino)phenyl)acrylamido)thiophene-3-carboxylate is 327075-62-7.
What is the molecular formula of (Z)-ethyl 4-(4-chlorophenyl)-2-(2-cyano-3-(4-(dimethylamino)phenyl)acrylamido)thiophene-3-carboxylate?
The molecular formula of (Z)-ethyl 4-(4-chlorophenyl)-2-(2-cyano-3-(4-(dimethylamino)phenyl)acrylamido)thiophene-3-carboxylate is C25H22ClN3O3S.
What is the molecular weight of (Z)-ethyl 4-(4-chlorophenyl)-2-(2-cyano-3-(4-(dimethylamino)phenyl)acrylamido)thiophene-3-carboxylate?
The molecular weight of (Z)-ethyl 4-(4-chlorophenyl)-2-(2-cyano-3-(4-(dimethylamino)phenyl)acrylamido)thiophene-3-carboxylate is 479.11 g/mol.
Where can I buy (Z)-ethyl 4-(4-chlorophenyl)-2-(2-cyano-3-(4-(dimethylamino)phenyl)acrylamido)thiophene-3-carboxylate?
You can request a quote for (Z)-ethyl 4-(4-chlorophenyl)-2-(2-cyano-3-(4-(dimethylamino)phenyl)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 (Z)-ethyl 4-(4-chlorophenyl)-2-(2-cyano-3-(4-(dimethylamino)phenyl)acrylamido)thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-ethyl 4-(4-chlorophenyl)-2-(2-cyano-3-(4-(dimethylamino)phenyl)acrylamido)thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.