(E)-methyl 2-((2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl)amino)benzoate
TL;DR: (E)-methyl 2-((2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl)amino)benzoate (CAS 85516-59-2) is a chemical compound with molecular formula C14H14N2O4 and molecular weight 274.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]amino]benzoate
Also Known As: (E)-methyl 2-((2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl)amino)benzoate, methyl 2-{[(1E)-2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl]amino}benzoate, F0416-0001, methyl 2-[[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]amino]benzoate, ethyl (2E)-2-cyano-3-{[2-(methoxycarbonyl)phenyl]amino}prop-2-enoate
| Molecular Formula | C14H14N2O4 |
|---|---|
| Molecular Weight | 274.10 g/mol |
| LogP | 1.85568 |
| Topological Polar Surface Area | 88.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 274.09537 |
| Heavy Atoms | 20 |
| Complexity | 572.7818 |
Chemical Identifiers
| CAS Number | 85516-59-2 |
|---|---|
| SMILES | CCOC(=O)/C(=C/NC1=CC=CC=C1C(=O)OC)/C#N |
Product Overview
(E)-methyl 2-((2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl)amino)benzoate (CAS 85516-59-2), with molecular formula C14H14N2O4 and molecular weight 274.10 g/mol. IUPAC: methyl 2-[[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]amino]benzoate.
Chemical Property Profile of (E)-methyl 2-((2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl)amino)benzoate
Property Insights of (E)-methyl 2-((2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl)amino)benzoate
The XLogP value of 1.85568 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-methyl 2-((2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl)amino)benzoate. The TPSA of 88.42 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-methyl 2-((2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl)amino)benzoate. Following Lipinski's Rule of Five, (E)-methyl 2-((2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl)amino)benzoate 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 (E)-methyl 2-((2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl)amino)benzoate?
The CAS number of (E)-methyl 2-((2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl)amino)benzoate is 85516-59-2.
What is the molecular formula of (E)-methyl 2-((2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl)amino)benzoate?
The molecular formula of (E)-methyl 2-((2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl)amino)benzoate is C14H14N2O4.
What is the molecular weight of (E)-methyl 2-((2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl)amino)benzoate?
The molecular weight of (E)-methyl 2-((2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl)amino)benzoate is 274.10 g/mol.
Where can I buy (E)-methyl 2-((2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl)amino)benzoate?
You can request a quote for (E)-methyl 2-((2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl)amino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-methyl 2-((2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl)amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-methyl 2-((2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl)amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.