![methyl (5-bromo-4-{(1Z)-2-cyano-3-[(4-methoxyphenyl)amino]-3-oxoprop-1-en-1-yl}-2-methoxyphenoxy)acetate structure](/static/products/3403/340312-21-2.webp)
methyl (5-bromo-4-{(1Z)-2-cyano-3-[(4-methoxyphenyl)amino]-3-oxoprop-1-en-1-yl}-2-methoxyphenoxy)acetate
TL;DR: methyl (5-bromo-4-{(1Z)-2-cyano-3-[(4-methoxyphenyl)amino]-3-oxoprop-1-en-1-yl}-2-methoxyphenoxy)acetate (CAS 340312-21-2) is a chemical compound with molecular formula C21H19BrN2O6 and molecular weight 474.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[5-bromo-4-[(Z)-2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]-2-methoxyphenoxy]acetate
Also Known As: methyl (5-bromo-4-{(1Z)-2-cyano-3-[(4-methoxyphenyl)amino]-3-oxoprop-1-en-1-yl}-2-methoxyphenoxy)acetate, (Z)-methyl 2-(5-bromo-4-(2-cyano-3-((4-methoxyphenyl)amino)-3-oxoprop-1-en-1-yl)-2-methoxyphenoxy)acetate, methyl 2-[5-bromo-4-[(Z)-2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]-2-methoxyphenoxy]acetate, Methyl 2-[5-bromo-4-[2-cyano-2-[(4-methoxyphenyl)carbamoyl]ethenyl]-2-methoxy-phenoxy]acetate
| Molecular Formula | C21H19BrN2O6 |
|---|---|
| Molecular Weight | 474.04 g/mol |
| LogP | 3.56378 |
| Topological Polar Surface Area | 106.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 474.04266 |
| Heavy Atoms | 30 |
| Complexity | 995.79156 |
Chemical Identifiers
| CAS Number | 340312-21-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC(=O)/C(=C\C2=CC(=C(C=C2Br)OCC(=O)OC)OC)/C#N |
Product Overview
methyl (5-bromo-4-{(1Z)-2-cyano-3-[(4-methoxyphenyl)amino]-3-oxoprop-1-en-1-yl}-2-methoxyphenoxy)acetate (CAS 340312-21-2), with molecular formula C21H19BrN2O6 and molecular weight 474.04 g/mol. IUPAC: methyl 2-[5-bromo-4-[(Z)-2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]-2-methoxyphenoxy]acetate.
Chemical Property Profile of methyl (5-bromo-4-{(1Z)-2-cyano-3-[(4-methoxyphenyl)amino]-3-oxoprop-1-en-1-yl}-2-methoxyphenoxy)acetate
Property Insights of methyl (5-bromo-4-{(1Z)-2-cyano-3-[(4-methoxyphenyl)amino]-3-oxoprop-1-en-1-yl}-2-methoxyphenoxy)acetate
The XLogP value of 3.56378 indicates that methyl (5-bromo-4-{(1Z)-2-cyano-3-[(4-methoxyphenyl)amino]-3-oxoprop-1-en-1-yl}-2-methoxyphenoxy)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.88 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl (5-bromo-4-{(1Z)-2-cyano-3-[(4-methoxyphenyl)amino]-3-oxoprop-1-en-1-yl}-2-methoxyphenoxy)acetate. Following Lipinski's Rule of Five, methyl (5-bromo-4-{(1Z)-2-cyano-3-[(4-methoxyphenyl)amino]-3-oxoprop-1-en-1-yl}-2-methoxyphenoxy)acetate has 1 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 (5-bromo-4-{(1Z)-2-cyano-3-[(4-methoxyphenyl)amino]-3-oxoprop-1-en-1-yl}-2-methoxyphenoxy)acetate?
The CAS number of methyl (5-bromo-4-{(1Z)-2-cyano-3-[(4-methoxyphenyl)amino]-3-oxoprop-1-en-1-yl}-2-methoxyphenoxy)acetate is 340312-21-2.
What is the molecular formula of methyl (5-bromo-4-{(1Z)-2-cyano-3-[(4-methoxyphenyl)amino]-3-oxoprop-1-en-1-yl}-2-methoxyphenoxy)acetate?
The molecular formula of methyl (5-bromo-4-{(1Z)-2-cyano-3-[(4-methoxyphenyl)amino]-3-oxoprop-1-en-1-yl}-2-methoxyphenoxy)acetate is C21H19BrN2O6.
What is the molecular weight of methyl (5-bromo-4-{(1Z)-2-cyano-3-[(4-methoxyphenyl)amino]-3-oxoprop-1-en-1-yl}-2-methoxyphenoxy)acetate?
The molecular weight of methyl (5-bromo-4-{(1Z)-2-cyano-3-[(4-methoxyphenyl)amino]-3-oxoprop-1-en-1-yl}-2-methoxyphenoxy)acetate is 474.04 g/mol.
Where can I buy methyl (5-bromo-4-{(1Z)-2-cyano-3-[(4-methoxyphenyl)amino]-3-oxoprop-1-en-1-yl}-2-methoxyphenoxy)acetate?
You can request a quote for methyl (5-bromo-4-{(1Z)-2-cyano-3-[(4-methoxyphenyl)amino]-3-oxoprop-1-en-1-yl}-2-methoxyphenoxy)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (5-bromo-4-{(1Z)-2-cyano-3-[(4-methoxyphenyl)amino]-3-oxoprop-1-en-1-yl}-2-methoxyphenoxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl (5-bromo-4-{(1Z)-2-cyano-3-[(4-methoxyphenyl)amino]-3-oxoprop-1-en-1-yl}-2-methoxyphenoxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.