(E)-methyl 2-((2-cyano-3-((furan-2-ylmethyl)amino)-3-oxoprop-1-en-1-yl)amino)-4,5-dimethoxybenzoate
TL;DR: (E)-methyl 2-((2-cyano-3-((furan-2-ylmethyl)amino)-3-oxoprop-1-en-1-yl)amino)-4,5-dimethoxybenzoate (CAS 892635-08-4) is a chemical compound with molecular formula C19H19N3O6 and molecular weight 385.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]amino]-4,5-dimethoxybenzoate
Also Known As: (E)-methyl 2-((2-cyano-3-((furan-2-ylmethyl)amino)-3-oxoprop-1-en-1-yl)amino)-4,5-dimethoxybenzoate, methyl 2-[[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]amino]-4,5-dimethoxybenzoate
| Molecular Formula | C19H19N3O6 |
|---|---|
| Molecular Weight | 385.13 g/mol |
| LogP | 2.21918 |
| Topological Polar Surface Area | 122.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 385.12738 |
| Heavy Atoms | 28 |
| Complexity | 912.4905 |
Chemical Identifiers
| CAS Number | 892635-08-4 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)C(=O)OC)N/C=C(\C#N)/C(=O)NCC2=CC=CO2)OC |
Product Overview
(E)-methyl 2-((2-cyano-3-((furan-2-ylmethyl)amino)-3-oxoprop-1-en-1-yl)amino)-4,5-dimethoxybenzoate (CAS 892635-08-4), with molecular formula C19H19N3O6 and molecular weight 385.13 g/mol. IUPAC: methyl 2-[[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]amino]-4,5-dimethoxybenzoate.
Chemical Property Profile of (E)-methyl 2-((2-cyano-3-((furan-2-ylmethyl)amino)-3-oxoprop-1-en-1-yl)amino)-4,5-dimethoxybenzoate
Property Insights of (E)-methyl 2-((2-cyano-3-((furan-2-ylmethyl)amino)-3-oxoprop-1-en-1-yl)amino)-4,5-dimethoxybenzoate
The XLogP value of 2.21918 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-methyl 2-((2-cyano-3-((furan-2-ylmethyl)amino)-3-oxoprop-1-en-1-yl)amino)-4,5-dimethoxybenzoate. The TPSA of 122.82 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-methyl 2-((2-cyano-3-((furan-2-ylmethyl)amino)-3-oxoprop-1-en-1-yl)amino)-4,5-dimethoxybenzoate. Following Lipinski's Rule of Five, (E)-methyl 2-((2-cyano-3-((furan-2-ylmethyl)amino)-3-oxoprop-1-en-1-yl)amino)-4,5-dimethoxybenzoate has 2 hydrogen bond donor(s) and 8 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-((furan-2-ylmethyl)amino)-3-oxoprop-1-en-1-yl)amino)-4,5-dimethoxybenzoate?
The CAS number of (E)-methyl 2-((2-cyano-3-((furan-2-ylmethyl)amino)-3-oxoprop-1-en-1-yl)amino)-4,5-dimethoxybenzoate is 892635-08-4.
What is the molecular formula of (E)-methyl 2-((2-cyano-3-((furan-2-ylmethyl)amino)-3-oxoprop-1-en-1-yl)amino)-4,5-dimethoxybenzoate?
The molecular formula of (E)-methyl 2-((2-cyano-3-((furan-2-ylmethyl)amino)-3-oxoprop-1-en-1-yl)amino)-4,5-dimethoxybenzoate is C19H19N3O6.
What is the molecular weight of (E)-methyl 2-((2-cyano-3-((furan-2-ylmethyl)amino)-3-oxoprop-1-en-1-yl)amino)-4,5-dimethoxybenzoate?
The molecular weight of (E)-methyl 2-((2-cyano-3-((furan-2-ylmethyl)amino)-3-oxoprop-1-en-1-yl)amino)-4,5-dimethoxybenzoate is 385.13 g/mol.
Where can I buy (E)-methyl 2-((2-cyano-3-((furan-2-ylmethyl)amino)-3-oxoprop-1-en-1-yl)amino)-4,5-dimethoxybenzoate?
You can request a quote for (E)-methyl 2-((2-cyano-3-((furan-2-ylmethyl)amino)-3-oxoprop-1-en-1-yl)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 (E)-methyl 2-((2-cyano-3-((furan-2-ylmethyl)amino)-3-oxoprop-1-en-1-yl)amino)-4,5-dimethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-methyl 2-((2-cyano-3-((furan-2-ylmethyl)amino)-3-oxoprop-1-en-1-yl)amino)-4,5-dimethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.