(E)-methyl 4-((2-cyano-3-((4-methoxybenzyl)amino)-3-oxoprop-1-en-1-yl)amino)benzoate
TL;DR: (E)-methyl 4-((2-cyano-3-((4-methoxybenzyl)amino)-3-oxoprop-1-en-1-yl)amino)benzoate (CAS 903586-19-6) is a chemical compound with molecular formula C20H19N3O4 and molecular weight 365.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[(E)-2-cyano-3-[(4-methoxyphenyl)methylamino]-3-oxoprop-1-enyl]amino]benzoate
Also Known As: (E)-methyl 4-((2-cyano-3-((4-methoxybenzyl)amino)-3-oxoprop-1-en-1-yl)amino)benzoate, methyl 4-({(1E)-2-cyano-3-[(4-methoxybenzyl)amino]-3-oxoprop-1-en-1-yl}amino)benzoate, methyl 4-[[(E)-2-cyano-3-[(4-methoxyphenyl)methylamino]-3-oxoprop-1-enyl]amino]benzoate
| Molecular Formula | C20H19N3O4 |
|---|---|
| Molecular Weight | 365.14 g/mol |
| LogP | 2.61758 |
| Topological Polar Surface Area | 100.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 365.13754 |
| Heavy Atoms | 27 |
| Complexity | 865.595 |
Chemical Identifiers
| CAS Number | 903586-19-6 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CNC(=O)/C(=C/NC2=CC=C(C=C2)C(=O)OC)/C#N |
Product Overview
(E)-methyl 4-((2-cyano-3-((4-methoxybenzyl)amino)-3-oxoprop-1-en-1-yl)amino)benzoate (CAS 903586-19-6), with molecular formula C20H19N3O4 and molecular weight 365.14 g/mol. IUPAC: methyl 4-[[(E)-2-cyano-3-[(4-methoxyphenyl)methylamino]-3-oxoprop-1-enyl]amino]benzoate.
Chemical Property Profile of (E)-methyl 4-((2-cyano-3-((4-methoxybenzyl)amino)-3-oxoprop-1-en-1-yl)amino)benzoate
Property Insights of (E)-methyl 4-((2-cyano-3-((4-methoxybenzyl)amino)-3-oxoprop-1-en-1-yl)amino)benzoate
The XLogP value of 2.61758 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-methyl 4-((2-cyano-3-((4-methoxybenzyl)amino)-3-oxoprop-1-en-1-yl)amino)benzoate. The TPSA of 100.45 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-methyl 4-((2-cyano-3-((4-methoxybenzyl)amino)-3-oxoprop-1-en-1-yl)amino)benzoate. Following Lipinski's Rule of Five, (E)-methyl 4-((2-cyano-3-((4-methoxybenzyl)amino)-3-oxoprop-1-en-1-yl)amino)benzoate has 2 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 4-((2-cyano-3-((4-methoxybenzyl)amino)-3-oxoprop-1-en-1-yl)amino)benzoate?
The CAS number of (E)-methyl 4-((2-cyano-3-((4-methoxybenzyl)amino)-3-oxoprop-1-en-1-yl)amino)benzoate is 903586-19-6.
What is the molecular formula of (E)-methyl 4-((2-cyano-3-((4-methoxybenzyl)amino)-3-oxoprop-1-en-1-yl)amino)benzoate?
The molecular formula of (E)-methyl 4-((2-cyano-3-((4-methoxybenzyl)amino)-3-oxoprop-1-en-1-yl)amino)benzoate is C20H19N3O4.
What is the molecular weight of (E)-methyl 4-((2-cyano-3-((4-methoxybenzyl)amino)-3-oxoprop-1-en-1-yl)amino)benzoate?
The molecular weight of (E)-methyl 4-((2-cyano-3-((4-methoxybenzyl)amino)-3-oxoprop-1-en-1-yl)amino)benzoate is 365.14 g/mol.
Where can I buy (E)-methyl 4-((2-cyano-3-((4-methoxybenzyl)amino)-3-oxoprop-1-en-1-yl)amino)benzoate?
You can request a quote for (E)-methyl 4-((2-cyano-3-((4-methoxybenzyl)amino)-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 4-((2-cyano-3-((4-methoxybenzyl)amino)-3-oxoprop-1-en-1-yl)amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-methyl 4-((2-cyano-3-((4-methoxybenzyl)amino)-3-oxoprop-1-en-1-yl)amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.