![methyl (4-{(1Z)-3-[(4-chlorophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2-ethoxyphenoxy)acetate structure](/static/products/3403/340301-59-9.webp)
methyl (4-{(1Z)-3-[(4-chlorophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2-ethoxyphenoxy)acetate
TL;DR: methyl (4-{(1Z)-3-[(4-chlorophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2-ethoxyphenoxy)acetate (CAS 340301-59-9) is a chemical compound with molecular formula C21H19ClN2O5 and molecular weight 414.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-[(Z)-3-(4-chloroanilino)-2-cyano-3-oxoprop-1-enyl]-2-ethoxyphenoxy]acetate
Also Known As: methyl (4-{(1Z)-3-[(4-chlorophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2-ethoxyphenoxy)acetate, methyl 2-[4-[(Z)-3-(4-chloroanilino)-2-cyano-3-oxoprop-1-enyl]-2-ethoxyphenoxy]acetate, (Z)-methyl 2-(4-(3-((4-chlorophenyl)amino)-2-cyano-3-oxoprop-1-en-1-yl)-2-ethoxyphenoxy)acetate
| Molecular Formula | C21H19ClN2O5 |
|---|---|
| Molecular Weight | 414.10 g/mol |
| LogP | 3.83618 |
| Topological Polar Surface Area | 97.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 414.09824 |
| Heavy Atoms | 29 |
| Complexity | 948.53406 |
Chemical Identifiers
| CAS Number | 340301-59-9 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)/C=C(/C#N)\C(=O)NC2=CC=C(C=C2)Cl)OCC(=O)OC |
Product Overview
methyl (4-{(1Z)-3-[(4-chlorophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2-ethoxyphenoxy)acetate (CAS 340301-59-9), with molecular formula C21H19ClN2O5 and molecular weight 414.10 g/mol. IUPAC: methyl 2-[4-[(Z)-3-(4-chloroanilino)-2-cyano-3-oxoprop-1-enyl]-2-ethoxyphenoxy]acetate.
Chemical Property Profile of methyl (4-{(1Z)-3-[(4-chlorophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2-ethoxyphenoxy)acetate
Property Insights of methyl (4-{(1Z)-3-[(4-chlorophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2-ethoxyphenoxy)acetate
The XLogP value of 3.83618 indicates that methyl (4-{(1Z)-3-[(4-chlorophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2-ethoxyphenoxy)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.65 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl (4-{(1Z)-3-[(4-chlorophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2-ethoxyphenoxy)acetate. Following Lipinski's Rule of Five, methyl (4-{(1Z)-3-[(4-chlorophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2-ethoxyphenoxy)acetate has 1 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 methyl (4-{(1Z)-3-[(4-chlorophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2-ethoxyphenoxy)acetate?
The CAS number of methyl (4-{(1Z)-3-[(4-chlorophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2-ethoxyphenoxy)acetate is 340301-59-9.
What is the molecular formula of methyl (4-{(1Z)-3-[(4-chlorophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2-ethoxyphenoxy)acetate?
The molecular formula of methyl (4-{(1Z)-3-[(4-chlorophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2-ethoxyphenoxy)acetate is C21H19ClN2O5.
What is the molecular weight of methyl (4-{(1Z)-3-[(4-chlorophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2-ethoxyphenoxy)acetate?
The molecular weight of methyl (4-{(1Z)-3-[(4-chlorophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2-ethoxyphenoxy)acetate is 414.10 g/mol.
Where can I buy methyl (4-{(1Z)-3-[(4-chlorophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2-ethoxyphenoxy)acetate?
You can request a quote for methyl (4-{(1Z)-3-[(4-chlorophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2-ethoxyphenoxy)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (4-{(1Z)-3-[(4-chlorophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2-ethoxyphenoxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl (4-{(1Z)-3-[(4-chlorophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2-ethoxyphenoxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.