ethyl (E)-2-cyano-3-(3-methoxyanilino)prop-2-enoate
TL;DR: ethyl (E)-2-cyano-3-(3-methoxyanilino)prop-2-enoate (CAS 2458-25-5) is a chemical compound with molecular formula C13H14N2O3 and molecular weight 246.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-2-cyano-3-(3-methoxyanilino)prop-2-enoate
Also Known As: ethyl (E)-2-cyano-3-(3-methoxyanilino)prop-2-enoate, ETHYL (2Z)-2-CYANO-3-[(3-METHOXYPHENYL)AMINO]PROP-2-ENOATE
| Molecular Formula | C13H14N2O3 |
|---|---|
| Molecular Weight | 246.10 g/mol |
| LogP | 2.07768 |
| Topological Polar Surface Area | 71.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 246.10045 |
| Heavy Atoms | 18 |
| Complexity | 489.25488 |
Chemical Identifiers
| CAS Number | 2458-25-5 |
|---|---|
| SMILES | CCOC(=O)/C(=C/NC1=CC(=CC=C1)OC)/C#N |
Product Overview
ethyl (E)-2-cyano-3-(3-methoxyanilino)prop-2-enoate (CAS 2458-25-5), with molecular formula C13H14N2O3 and molecular weight 246.10 g/mol. IUPAC: ethyl (E)-2-cyano-3-(3-methoxyanilino)prop-2-enoate.
Chemical Property Profile of ethyl (E)-2-cyano-3-(3-methoxyanilino)prop-2-enoate
Property Insights of ethyl (E)-2-cyano-3-(3-methoxyanilino)prop-2-enoate
The XLogP value of 2.07768 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (E)-2-cyano-3-(3-methoxyanilino)prop-2-enoate. The TPSA of 71.35 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl (E)-2-cyano-3-(3-methoxyanilino)prop-2-enoate. Following Lipinski's Rule of Five, ethyl (E)-2-cyano-3-(3-methoxyanilino)prop-2-enoate has 1 hydrogen bond donor(s) and 5 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 (E)-2-cyano-3-(3-methoxyanilino)prop-2-enoate?
The CAS number of ethyl (E)-2-cyano-3-(3-methoxyanilino)prop-2-enoate is 2458-25-5.
What is the molecular formula of ethyl (E)-2-cyano-3-(3-methoxyanilino)prop-2-enoate?
The molecular formula of ethyl (E)-2-cyano-3-(3-methoxyanilino)prop-2-enoate is C13H14N2O3.
What is the molecular weight of ethyl (E)-2-cyano-3-(3-methoxyanilino)prop-2-enoate?
The molecular weight of ethyl (E)-2-cyano-3-(3-methoxyanilino)prop-2-enoate is 246.10 g/mol.
Where can I buy ethyl (E)-2-cyano-3-(3-methoxyanilino)prop-2-enoate?
You can request a quote for ethyl (E)-2-cyano-3-(3-methoxyanilino)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 (E)-2-cyano-3-(3-methoxyanilino)prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (E)-2-cyano-3-(3-methoxyanilino)prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.