Methyl 2-cyano-3-(2,4-dichloroanilino)acrylate
TL;DR: Methyl 2-cyano-3-(2,4-dichloroanilino)acrylate (CAS 339107-03-8) is a chemical compound with molecular formula C11H8Cl2N2O2 and molecular weight 270.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-cyano-3-(2,4-dichloroanilino)prop-2-enoate
Also Known As: methyl 2-cyano-3-(2,4-dichloroanilino)acrylate, Methyl 2-cyano-3-[(2,4-dichlorophenyl)amino]prop-2-enoate, methyl 2-cyano-3-(2,4-dichloroanilino)prop-2-enoate
| Molecular Formula | C11H8Cl2N2O2 |
|---|---|
| Molecular Weight | 270.00 g/mol |
| LogP | 2.98578 |
| Topological Polar Surface Area | 62.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 269.99628 |
| Heavy Atoms | 17 |
| Complexity | 506.68317 |
Chemical Identifiers
| CAS Number | 339107-03-8 |
|---|---|
| SMILES | COC(=O)C(=CNC1=C(C=C(C=C1)Cl)Cl)C#N |
Product Overview
Methyl 2-cyano-3-(2,4-dichloroanilino)acrylate (CAS 339107-03-8), with molecular formula C11H8Cl2N2O2 and molecular weight 270.00 g/mol. IUPAC: methyl 2-cyano-3-(2,4-dichloroanilino)prop-2-enoate.
Chemical Property Profile of Methyl 2-cyano-3-(2,4-dichloroanilino)acrylate
Property Insights of Methyl 2-cyano-3-(2,4-dichloroanilino)acrylate
The XLogP value of 2.98578 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-cyano-3-(2,4-dichloroanilino)acrylate. The TPSA of 62.12 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-cyano-3-(2,4-dichloroanilino)acrylate. Following Lipinski's Rule of Five, Methyl 2-cyano-3-(2,4-dichloroanilino)acrylate 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 Methyl 2-cyano-3-(2,4-dichloroanilino)acrylate?
The CAS number of Methyl 2-cyano-3-(2,4-dichloroanilino)acrylate is 339107-03-8.
What is the molecular formula of Methyl 2-cyano-3-(2,4-dichloroanilino)acrylate?
The molecular formula of Methyl 2-cyano-3-(2,4-dichloroanilino)acrylate is C11H8Cl2N2O2.
What is the molecular weight of Methyl 2-cyano-3-(2,4-dichloroanilino)acrylate?
The molecular weight of Methyl 2-cyano-3-(2,4-dichloroanilino)acrylate is 270.00 g/mol.
Where can I buy Methyl 2-cyano-3-(2,4-dichloroanilino)acrylate?
You can request a quote for Methyl 2-cyano-3-(2,4-dichloroanilino)acrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-cyano-3-(2,4-dichloroanilino)acrylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-cyano-3-(2,4-dichloroanilino)acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.