![methyl (2-chloro-4-{(1Z)-2-cyano-3-[(3-ethoxyphenyl)amino]-3-oxoprop-1-en-1-yl}-6-methoxyphenoxy)acetate structure](/static/products/5903/5903-71-9.webp)
methyl (2-chloro-4-{(1Z)-2-cyano-3-[(3-ethoxyphenyl)amino]-3-oxoprop-1-en-1-yl}-6-methoxyphenoxy)acetate
TL;DR: methyl (2-chloro-4-{(1Z)-2-cyano-3-[(3-ethoxyphenyl)amino]-3-oxoprop-1-en-1-yl}-6-methoxyphenoxy)acetate (CAS 5903-71-9) is a chemical compound with molecular formula C22H21ClN2O6 and molecular weight 444.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[2-chloro-4-[(Z)-2-cyano-3-(3-ethoxyanilino)-3-oxoprop-1-enyl]-6-methoxyphenoxy]acetate
Also Known As: methyl (2-chloro-4-{(1Z)-2-cyano-3-[(3-ethoxyphenyl)amino]-3-oxoprop-1-en-1-yl}-6-methoxyphenoxy)acetate, methyl (2-chloro-4-{2-cyano-3-[(3-ethoxyphenyl)amino]-3-oxo-1-propen-1-yl}-6-methoxyphenoxy)acetate, methyl 2-[2-chloro-4-[(Z)-2-cyano-3-(3-ethoxyanilino)-3-oxoprop-1-enyl]-6-methoxyphenoxy]acetate, Methyl {2-chloro-4-[(1Z)-2-cyano-3-(3-ethoxyanilino)-3-oxoprop-1-en-1-yl]-6-methoxyphenoxy}acetate, Methyl 2-[2-chloro-4-[2-cyano-2-[(3-ethoxyphenyl)carbamoyl]ethenyl]-6-methoxy-phenoxy]acetate
| Molecular Formula | C22H21ClN2O6 |
|---|---|
| Molecular Weight | 444.11 g/mol |
| LogP | 3.84478 |
| Topological Polar Surface Area | 106.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 444.10883 |
| Heavy Atoms | 31 |
| Complexity | 1029.1466 |
Chemical Identifiers
| CAS Number | 5903-71-9 |
|---|---|
| SMILES | CCOC1=CC=CC(=C1)NC(=O)/C(=C\C2=CC(=C(C(=C2)Cl)OCC(=O)OC)OC)/C#N |
Product Overview
methyl (2-chloro-4-{(1Z)-2-cyano-3-[(3-ethoxyphenyl)amino]-3-oxoprop-1-en-1-yl}-6-methoxyphenoxy)acetate (CAS 5903-71-9), with molecular formula C22H21ClN2O6 and molecular weight 444.11 g/mol. IUPAC: methyl 2-[2-chloro-4-[(Z)-2-cyano-3-(3-ethoxyanilino)-3-oxoprop-1-enyl]-6-methoxyphenoxy]acetate.
Chemical Property Profile of methyl (2-chloro-4-{(1Z)-2-cyano-3-[(3-ethoxyphenyl)amino]-3-oxoprop-1-en-1-yl}-6-methoxyphenoxy)acetate
Property Insights of methyl (2-chloro-4-{(1Z)-2-cyano-3-[(3-ethoxyphenyl)amino]-3-oxoprop-1-en-1-yl}-6-methoxyphenoxy)acetate
The XLogP value of 3.84478 indicates that methyl (2-chloro-4-{(1Z)-2-cyano-3-[(3-ethoxyphenyl)amino]-3-oxoprop-1-en-1-yl}-6-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 (2-chloro-4-{(1Z)-2-cyano-3-[(3-ethoxyphenyl)amino]-3-oxoprop-1-en-1-yl}-6-methoxyphenoxy)acetate. Following Lipinski's Rule of Five, methyl (2-chloro-4-{(1Z)-2-cyano-3-[(3-ethoxyphenyl)amino]-3-oxoprop-1-en-1-yl}-6-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 (2-chloro-4-{(1Z)-2-cyano-3-[(3-ethoxyphenyl)amino]-3-oxoprop-1-en-1-yl}-6-methoxyphenoxy)acetate?
The CAS number of methyl (2-chloro-4-{(1Z)-2-cyano-3-[(3-ethoxyphenyl)amino]-3-oxoprop-1-en-1-yl}-6-methoxyphenoxy)acetate is 5903-71-9.
What is the molecular formula of methyl (2-chloro-4-{(1Z)-2-cyano-3-[(3-ethoxyphenyl)amino]-3-oxoprop-1-en-1-yl}-6-methoxyphenoxy)acetate?
The molecular formula of methyl (2-chloro-4-{(1Z)-2-cyano-3-[(3-ethoxyphenyl)amino]-3-oxoprop-1-en-1-yl}-6-methoxyphenoxy)acetate is C22H21ClN2O6.
What is the molecular weight of methyl (2-chloro-4-{(1Z)-2-cyano-3-[(3-ethoxyphenyl)amino]-3-oxoprop-1-en-1-yl}-6-methoxyphenoxy)acetate?
The molecular weight of methyl (2-chloro-4-{(1Z)-2-cyano-3-[(3-ethoxyphenyl)amino]-3-oxoprop-1-en-1-yl}-6-methoxyphenoxy)acetate is 444.11 g/mol.
Where can I buy methyl (2-chloro-4-{(1Z)-2-cyano-3-[(3-ethoxyphenyl)amino]-3-oxoprop-1-en-1-yl}-6-methoxyphenoxy)acetate?
You can request a quote for methyl (2-chloro-4-{(1Z)-2-cyano-3-[(3-ethoxyphenyl)amino]-3-oxoprop-1-en-1-yl}-6-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 (2-chloro-4-{(1Z)-2-cyano-3-[(3-ethoxyphenyl)amino]-3-oxoprop-1-en-1-yl}-6-methoxyphenoxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl (2-chloro-4-{(1Z)-2-cyano-3-[(3-ethoxyphenyl)amino]-3-oxoprop-1-en-1-yl}-6-methoxyphenoxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.