![Ethyl 2-cyano-3-[(3,5-dimethoxyphenyl)amino]prop-2-enoate structure](/static/products/712/712307-63-6.png)
Ethyl 2-cyano-3-[(3,5-dimethoxyphenyl)amino]prop-2-enoate
TL;DR: Ethyl 2-cyano-3-[(3,5-dimethoxyphenyl)amino]prop-2-enoate (CAS 712307-63-6) is a chemical compound with molecular formula C14H16N2O4 and molecular weight 276.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-2-cyano-3-(3,5-dimethoxyanilino)prop-2-enoate
Also Known As: ethyl 2-cyano-3-[(3,5-dimethoxyphenyl)amino]prop-2-enoate, ethyl (2E)-2-cyano-3-[(3,5-dimethoxyphenyl)amino]prop-2-enoate, ethyl (E)-2-cyano-3-(3,5-dimethoxyanilino)prop-2-enoate, ethyl2-cyano-3-[(3,5-dimethoxyphenyl)amino]prop-2-enoate
| Molecular Formula | C14H16N2O4 |
|---|---|
| Molecular Weight | 276.11 g/mol |
| LogP | 2.08628 |
| Topological Polar Surface Area | 80.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 276.111 |
| Heavy Atoms | 20 |
| Complexity | 524.34515 |
Chemical Identifiers
| CAS Number | 712307-63-6 |
|---|---|
| SMILES | CCOC(=O)/C(=C/NC1=CC(=CC(=C1)OC)OC)/C#N |
Product Overview
Ethyl 2-cyano-3-[(3,5-dimethoxyphenyl)amino]prop-2-enoate (CAS 712307-63-6), with molecular formula C14H16N2O4 and molecular weight 276.11 g/mol. IUPAC: ethyl (E)-2-cyano-3-(3,5-dimethoxyanilino)prop-2-enoate.
Chemical Property Profile of Ethyl 2-cyano-3-[(3,5-dimethoxyphenyl)amino]prop-2-enoate
Property Insights of Ethyl 2-cyano-3-[(3,5-dimethoxyphenyl)amino]prop-2-enoate
The XLogP value of 2.08628 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-cyano-3-[(3,5-dimethoxyphenyl)amino]prop-2-enoate. The TPSA of 80.58 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-cyano-3-[(3,5-dimethoxyphenyl)amino]prop-2-enoate. Following Lipinski's Rule of Five, Ethyl 2-cyano-3-[(3,5-dimethoxyphenyl)amino]prop-2-enoate has 1 hydrogen bond donor(s) and 6 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 2-cyano-3-[(3,5-dimethoxyphenyl)amino]prop-2-enoate?
The CAS number of Ethyl 2-cyano-3-[(3,5-dimethoxyphenyl)amino]prop-2-enoate is 712307-63-6.
What is the molecular formula of Ethyl 2-cyano-3-[(3,5-dimethoxyphenyl)amino]prop-2-enoate?
The molecular formula of Ethyl 2-cyano-3-[(3,5-dimethoxyphenyl)amino]prop-2-enoate is C14H16N2O4.
What is the molecular weight of Ethyl 2-cyano-3-[(3,5-dimethoxyphenyl)amino]prop-2-enoate?
The molecular weight of Ethyl 2-cyano-3-[(3,5-dimethoxyphenyl)amino]prop-2-enoate is 276.11 g/mol.
Where can I buy Ethyl 2-cyano-3-[(3,5-dimethoxyphenyl)amino]prop-2-enoate?
You can request a quote for Ethyl 2-cyano-3-[(3,5-dimethoxyphenyl)amino]prop-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 2-cyano-3-[(3,5-dimethoxyphenyl)amino]prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-cyano-3-[(3,5-dimethoxyphenyl)amino]prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.