Ethyl 3-(2-chloroanilino)-2-cyanoprop-2-enoate
TL;DR: Ethyl 3-(2-chloroanilino)-2-cyanoprop-2-enoate (CAS 7510-65-8) 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 3-(2-chloroanilino)-2-cyanoprop-2-enoate
Also Known As: Maybridge1_006536, ethyl 3-(2-chloroanilino)-2-cyanoprop-2-enoate, ethyl 3-[(2-chlorophenyl)amino]-2-cyanoprop-2-enoate, ETHYL3-(2-CHLOROANILINO)-2-CYANOACRYLATE, ethyl (Z)-3-(2-chloroanilino)-2-cyanoprop-2-enoate
| Molecular Formula | C12H11ClN2O2 |
|---|---|
| Molecular Weight | 250.05 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 62.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 250.0509 |
| Heavy Atoms | 17 |
| Complexity | 346.0 |
Chemical Identifiers
| CAS Number | 7510-65-8 |
|---|---|
| SMILES | CCOC(=O)C(=CNC1=CC=CC=C1Cl)C#N |
| InChIKey | SWCQAAUPCCUXBT-UHFFFAOYSA-N |
Product Overview
Ethyl 3-(2-chloroanilino)-2-cyanoprop-2-enoate (CAS 7510-65-8), with molecular formula C12H11ClN2O2 and molecular weight 250.05 g/mol. IUPAC: ethyl 3-(2-chloroanilino)-2-cyanoprop-2-enoate.
Chemical Property Profile of Ethyl 3-(2-chloroanilino)-2-cyanoprop-2-enoate
Property Insights of Ethyl 3-(2-chloroanilino)-2-cyanoprop-2-enoate
The XLogP value of 3.4 indicates that Ethyl 3-(2-chloroanilino)-2-cyanoprop-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-(2-chloroanilino)-2-cyanoprop-2-enoate. Following Lipinski's Rule of Five, Ethyl 3-(2-chloroanilino)-2-cyanoprop-2-enoate 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-cyanoprop-2-enoate?
The CAS number of Ethyl 3-(2-chloroanilino)-2-cyanoprop-2-enoate is 7510-65-8.
What is the molecular formula of Ethyl 3-(2-chloroanilino)-2-cyanoprop-2-enoate?
The molecular formula of Ethyl 3-(2-chloroanilino)-2-cyanoprop-2-enoate is C12H11ClN2O2.
What is the molecular weight of Ethyl 3-(2-chloroanilino)-2-cyanoprop-2-enoate?
The molecular weight of Ethyl 3-(2-chloroanilino)-2-cyanoprop-2-enoate is 250.05 g/mol.
Where can I buy Ethyl 3-(2-chloroanilino)-2-cyanoprop-2-enoate?
You can request a quote for Ethyl 3-(2-chloroanilino)-2-cyanoprop-2-enoate 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-cyanoprop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(2-chloroanilino)-2-cyanoprop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.