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Ethyl 3-[(3-Chlorophenyl)amino]-2-cyano-2-propenoate
TL;DR: Ethyl 3-[(3-Chlorophenyl)amino]-2-cyano-2-propenoate (CAS 57338-19-9) is a chemical compound with molecular formula C12H11ClN2O2 and molecular weight 250.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (Z)-3-(3-chloroanilino)-2-cyanoprop-2-enoate
Also Known As: ethyl 3-(3-chloroanilino)-2-cyanoprop-2-enoate, Ethyl 3-((3-Chlorophenyl)amino)-2-cyanoacrylate, Ethyl 3-[(3-Chlorophenyl)amino]-2-cyano-2-propenoate, ethyl (2Z)-3-[(3-chlorophenyl)amino]-2-cyanoprop-2-enoate, ethyl (Z)-3-(3-chloroanilino)-2-cyanoprop-2-enoate
| Molecular Formula | C12H11ClN2O2 |
|---|---|
| Molecular Weight | 250.05 g/mol |
| LogP | 2.72248 |
| Topological Polar Surface Area | 62.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 250.0509 |
| Heavy Atoms | 17 |
| Complexity | 477.63913 |
Chemical Identifiers
| CAS Number | 57338-19-9 |
|---|---|
| SMILES | CCOC(=O)/C(=C\NC1=CC(=CC=C1)Cl)/C#N |
Product Overview
Ethyl 3-[(3-Chlorophenyl)amino]-2-cyano-2-propenoate (CAS 57338-19-9), with molecular formula C12H11ClN2O2 and molecular weight 250.05 g/mol. IUPAC: ethyl (Z)-3-(3-chloroanilino)-2-cyanoprop-2-enoate.
Chemical Property Profile of Ethyl 3-[(3-Chlorophenyl)amino]-2-cyano-2-propenoate
Property Insights of Ethyl 3-[(3-Chlorophenyl)amino]-2-cyano-2-propenoate
The XLogP value of 2.72248 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-[(3-Chlorophenyl)amino]-2-cyano-2-propenoate. The TPSA of 62.12 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-[(3-Chlorophenyl)amino]-2-cyano-2-propenoate. Following Lipinski's Rule of Five, Ethyl 3-[(3-Chlorophenyl)amino]-2-cyano-2-propenoate has 1 hydrogen bond donor(s) and 4 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 3-[(3-Chlorophenyl)amino]-2-cyano-2-propenoate?
The CAS number of Ethyl 3-[(3-Chlorophenyl)amino]-2-cyano-2-propenoate is 57338-19-9.
What is the molecular formula of Ethyl 3-[(3-Chlorophenyl)amino]-2-cyano-2-propenoate?
The molecular formula of Ethyl 3-[(3-Chlorophenyl)amino]-2-cyano-2-propenoate is C12H11ClN2O2.
What is the molecular weight of Ethyl 3-[(3-Chlorophenyl)amino]-2-cyano-2-propenoate?
The molecular weight of Ethyl 3-[(3-Chlorophenyl)amino]-2-cyano-2-propenoate is 250.05 g/mol.
Where can I buy Ethyl 3-[(3-Chlorophenyl)amino]-2-cyano-2-propenoate?
You can request a quote for Ethyl 3-[(3-Chlorophenyl)amino]-2-cyano-2-propenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-[(3-Chlorophenyl)amino]-2-cyano-2-propenoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-[(3-Chlorophenyl)amino]-2-cyano-2-propenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.