![methyl 2-{[(1Z)-2-(butylcarbamoyl)-2-cyanoeth-1-en-1-yl]amino}-4,5-dimethoxybenzoate structure](/static/products/899/899375-90-7.png)
methyl 2-{[(1Z)-2-(butylcarbamoyl)-2-cyanoeth-1-en-1-yl]amino}-4,5-dimethoxybenzoate
TL;DR: methyl 2-{[(1Z)-2-(butylcarbamoyl)-2-cyanoeth-1-en-1-yl]amino}-4,5-dimethoxybenzoate (CAS 899375-90-7) is a chemical compound with molecular formula C18H23N3O5 and molecular weight 361.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[(E)-3-(butylamino)-2-cyano-3-oxoprop-1-enyl]amino]-4,5-dimethoxybenzoate
Also Known As: methyl 2-{[(1Z)-2-(butylcarbamoyl)-2-cyanoeth-1-en-1-yl]amino}-4,5-dimethoxybenzoate, (E)-methyl 2-((3-(butylamino)-2-cyano-3-oxoprop-1-en-1-yl)amino)-4,5-dimethoxybenzoate, methyl 2-[[(E)-3-(butylamino)-2-cyano-3-oxoprop-1-enyl]amino]-4,5-dimethoxybenzoate
| Molecular Formula | C18H23N3O5 |
|---|---|
| Molecular Weight | 361.16 g/mol |
| LogP | 2.22608 |
| Topological Polar Surface Area | 109.68 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 361.16376 |
| Heavy Atoms | 26 |
| Complexity | 722.27216 |
Chemical Identifiers
| CAS Number | 899375-90-7 |
|---|---|
| SMILES | CCCCNC(=O)/C(=C/NC1=CC(=C(C=C1C(=O)OC)OC)OC)/C#N |
Product Overview
methyl 2-{[(1Z)-2-(butylcarbamoyl)-2-cyanoeth-1-en-1-yl]amino}-4,5-dimethoxybenzoate (CAS 899375-90-7), with molecular formula C18H23N3O5 and molecular weight 361.16 g/mol. IUPAC: methyl 2-[[(E)-3-(butylamino)-2-cyano-3-oxoprop-1-enyl]amino]-4,5-dimethoxybenzoate.
Chemical Property Profile of methyl 2-{[(1Z)-2-(butylcarbamoyl)-2-cyanoeth-1-en-1-yl]amino}-4,5-dimethoxybenzoate
Property Insights of methyl 2-{[(1Z)-2-(butylcarbamoyl)-2-cyanoeth-1-en-1-yl]amino}-4,5-dimethoxybenzoate
The XLogP value of 2.22608 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-{[(1Z)-2-(butylcarbamoyl)-2-cyanoeth-1-en-1-yl]amino}-4,5-dimethoxybenzoate. The TPSA of 109.68 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-{[(1Z)-2-(butylcarbamoyl)-2-cyanoeth-1-en-1-yl]amino}-4,5-dimethoxybenzoate. Following Lipinski's Rule of Five, methyl 2-{[(1Z)-2-(butylcarbamoyl)-2-cyanoeth-1-en-1-yl]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-{[(1Z)-2-(butylcarbamoyl)-2-cyanoeth-1-en-1-yl]amino}-4,5-dimethoxybenzoate?
The CAS number of methyl 2-{[(1Z)-2-(butylcarbamoyl)-2-cyanoeth-1-en-1-yl]amino}-4,5-dimethoxybenzoate is 899375-90-7.
What is the molecular formula of methyl 2-{[(1Z)-2-(butylcarbamoyl)-2-cyanoeth-1-en-1-yl]amino}-4,5-dimethoxybenzoate?
The molecular formula of methyl 2-{[(1Z)-2-(butylcarbamoyl)-2-cyanoeth-1-en-1-yl]amino}-4,5-dimethoxybenzoate is C18H23N3O5.
What is the molecular weight of methyl 2-{[(1Z)-2-(butylcarbamoyl)-2-cyanoeth-1-en-1-yl]amino}-4,5-dimethoxybenzoate?
The molecular weight of methyl 2-{[(1Z)-2-(butylcarbamoyl)-2-cyanoeth-1-en-1-yl]amino}-4,5-dimethoxybenzoate is 361.16 g/mol.
Where can I buy methyl 2-{[(1Z)-2-(butylcarbamoyl)-2-cyanoeth-1-en-1-yl]amino}-4,5-dimethoxybenzoate?
You can request a quote for methyl 2-{[(1Z)-2-(butylcarbamoyl)-2-cyanoeth-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 methyl 2-{[(1Z)-2-(butylcarbamoyl)-2-cyanoeth-1-en-1-yl]amino}-4,5-dimethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-{[(1Z)-2-(butylcarbamoyl)-2-cyanoeth-1-en-1-yl]amino}-4,5-dimethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.