Ethyl 3-(2-chloroanilino)-2-cyanoacrylate
TL;DR: Ethyl 3-(2-chloroanilino)-2-cyanoacrylate (CAS 64318-04-3) 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 (E)-3-(2-chloroanilino)-2-cyanoprop-2-enoate
Also Known As: ethyl 3-(2-chloroanilino)-2-cyanoacrylate, ethyl 3-[(2-chlorophenyl)amino]-2-cyanoprop-2-enoate, 2-(4-fluorophenyl)sulfonylphenol, 3-(4-fluorophenyl)sulfonylphenol, ethyl (E)-3-(2-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 | 64318-04-3 |
|---|---|
| SMILES | CCOC(=O)/C(=C/NC1=CC=CC=C1Cl)/C#N |
Product Overview
Ethyl 3-(2-chloroanilino)-2-cyanoacrylate (CAS 64318-04-3), with molecular formula C12H11ClN2O2 and molecular weight 250.05 g/mol. IUPAC: ethyl (E)-3-(2-chloroanilino)-2-cyanoprop-2-enoate.
Chemical Property Profile of Ethyl 3-(2-chloroanilino)-2-cyanoacrylate
Property Insights of Ethyl 3-(2-chloroanilino)-2-cyanoacrylate
The XLogP value of 2.72248 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-(2-chloroanilino)-2-cyanoacrylate. The TPSA of 62.12 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-(2-chloroanilino)-2-cyanoacrylate. Following Lipinski's Rule of Five, Ethyl 3-(2-chloroanilino)-2-cyanoacrylate 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-(2-chloroanilino)-2-cyanoacrylate?
The CAS number of Ethyl 3-(2-chloroanilino)-2-cyanoacrylate is 64318-04-3.
What is the molecular formula of Ethyl 3-(2-chloroanilino)-2-cyanoacrylate?
The molecular formula of Ethyl 3-(2-chloroanilino)-2-cyanoacrylate is C12H11ClN2O2.
What is the molecular weight of Ethyl 3-(2-chloroanilino)-2-cyanoacrylate?
The molecular weight of Ethyl 3-(2-chloroanilino)-2-cyanoacrylate is 250.05 g/mol.
Where can I buy Ethyl 3-(2-chloroanilino)-2-cyanoacrylate?
You can request a quote for Ethyl 3-(2-chloroanilino)-2-cyanoacrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(2-chloroanilino)-2-cyanoacrylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(2-chloroanilino)-2-cyanoacrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.