![methyl 2-[[(E)-2-cyano-3-oxo-3-(phenethylamino)prop-1-enyl]amino]-4,5-dimethoxybenzoate structure](/static/products/885/885183-55-1.png)
methyl 2-[[(E)-2-cyano-3-oxo-3-(phenethylamino)prop-1-enyl]amino]-4,5-dimethoxybenzoate
TL;DR: methyl 2-[[(E)-2-cyano-3-oxo-3-(phenethylamino)prop-1-enyl]amino]-4,5-dimethoxybenzoate (CAS 885183-55-1) is a chemical compound with molecular formula C22H23N3O5 and molecular weight 409.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[(E)-2-cyano-3-oxo-3-(2-phenylethylamino)prop-1-enyl]amino]-4,5-dimethoxybenzoate
Also Known As: methyl 2-[[(E)-2-cyano-3-oxo-3-(phenethylamino)prop-1-enyl]amino]-4,5-dimethoxybenzoate, (E)-methyl 2-((2-cyano-3-oxo-3-(phenethylamino)prop-1-en-1-yl)amino)-4,5-dimethoxybenzoate
| Molecular Formula | C22H23N3O5 |
|---|---|
| Molecular Weight | 409.16 g/mol |
| LogP | 2.66868 |
| Topological Polar Surface Area | 109.68 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 409.16376 |
| Heavy Atoms | 30 |
| Complexity | 964.7286 |
Chemical Identifiers
| CAS Number | 885183-55-1 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)C(=O)OC)N/C=C(\C#N)/C(=O)NCCC2=CC=CC=C2)OC |
Product Overview
methyl 2-[[(E)-2-cyano-3-oxo-3-(phenethylamino)prop-1-enyl]amino]-4,5-dimethoxybenzoate (CAS 885183-55-1), with molecular formula C22H23N3O5 and molecular weight 409.16 g/mol. IUPAC: methyl 2-[[(E)-2-cyano-3-oxo-3-(2-phenylethylamino)prop-1-enyl]amino]-4,5-dimethoxybenzoate.
Chemical Property Profile of methyl 2-[[(E)-2-cyano-3-oxo-3-(phenethylamino)prop-1-enyl]amino]-4,5-dimethoxybenzoate
Property Insights of methyl 2-[[(E)-2-cyano-3-oxo-3-(phenethylamino)prop-1-enyl]amino]-4,5-dimethoxybenzoate
The XLogP value of 2.66868 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-[[(E)-2-cyano-3-oxo-3-(phenethylamino)prop-1-enyl]amino]-4,5-dimethoxybenzoate. The TPSA of 109.68 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-[[(E)-2-cyano-3-oxo-3-(phenethylamino)prop-1-enyl]amino]-4,5-dimethoxybenzoate. Following Lipinski's Rule of Five, methyl 2-[[(E)-2-cyano-3-oxo-3-(phenethylamino)prop-1-enyl]amino]-4,5-dimethoxybenzoate has 2 hydrogen bond donor(s) and 7 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-[[(E)-2-cyano-3-oxo-3-(phenethylamino)prop-1-enyl]amino]-4,5-dimethoxybenzoate?
The CAS number of methyl 2-[[(E)-2-cyano-3-oxo-3-(phenethylamino)prop-1-enyl]amino]-4,5-dimethoxybenzoate is 885183-55-1.
What is the molecular formula of methyl 2-[[(E)-2-cyano-3-oxo-3-(phenethylamino)prop-1-enyl]amino]-4,5-dimethoxybenzoate?
The molecular formula of methyl 2-[[(E)-2-cyano-3-oxo-3-(phenethylamino)prop-1-enyl]amino]-4,5-dimethoxybenzoate is C22H23N3O5.
What is the molecular weight of methyl 2-[[(E)-2-cyano-3-oxo-3-(phenethylamino)prop-1-enyl]amino]-4,5-dimethoxybenzoate?
The molecular weight of methyl 2-[[(E)-2-cyano-3-oxo-3-(phenethylamino)prop-1-enyl]amino]-4,5-dimethoxybenzoate is 409.16 g/mol.
Where can I buy methyl 2-[[(E)-2-cyano-3-oxo-3-(phenethylamino)prop-1-enyl]amino]-4,5-dimethoxybenzoate?
You can request a quote for methyl 2-[[(E)-2-cyano-3-oxo-3-(phenethylamino)prop-1-enyl]amino]-4,5-dimethoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-[[(E)-2-cyano-3-oxo-3-(phenethylamino)prop-1-enyl]amino]-4,5-dimethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-[[(E)-2-cyano-3-oxo-3-(phenethylamino)prop-1-enyl]amino]-4,5-dimethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.