![Ethyl 2-[4-[2-cyano-3-[(3,5-dichlorophenyl)amino]-3-oxo-1-propen-1-yl]-2-methoxyphenoxy]acetate structure](/static/products/6356/635698-57-6.webp)
Ethyl 2-[4-[2-cyano-3-[(3,5-dichlorophenyl)amino]-3-oxo-1-propen-1-yl]-2-methoxyphenoxy]acetate
TL;DR: Ethyl 2-[4-[2-cyano-3-[(3,5-dichlorophenyl)amino]-3-oxo-1-propen-1-yl]-2-methoxyphenoxy]acetate (CAS 635698-57-6) is a chemical compound with molecular formula C21H18Cl2N2O5 and molecular weight 448.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[4-[2-cyano-3-(3,5-dichloroanilino)-3-oxoprop-1-enyl]-2-methoxyphenoxy]acetate
Also Known As: Ethyl 2-[4-[2-cyano-3-[(3,5-dichlorophenyl)amino]-3-oxo-1-propen-1-yl]-2-methoxyphenoxy]acetate, Ethyl {4-[2-cyano-3-(3,5-dichloroanilino)-3-oxoprop-1-en-1-yl]-2-methoxyphenoxy}acetate, Ethyl 2-[4-[2-cyano-2-[(3,5-dichlorophenyl)carbamoyl]ethenyl]-2-methoxy-phenoxy]acetate, ethyl 2-[4-[2-cyano-3-(3,5-dichloroanilino)-3-oxoprop-1-enyl]-2-methoxyphenoxy]acetate
| Molecular Formula | C21H18Cl2N2O5 |
|---|---|
| Molecular Weight | 448.06 g/mol |
| LogP | 4.48958 |
| Topological Polar Surface Area | 97.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 448.05927 |
| Heavy Atoms | 30 |
| Complexity | 994.6917 |
Chemical Identifiers
| CAS Number | 635698-57-6 |
|---|---|
| SMILES | CCOC(=O)COC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=CC(=CC(=C2)Cl)Cl)OC |
Product Overview
Ethyl 2-[4-[2-cyano-3-[(3,5-dichlorophenyl)amino]-3-oxo-1-propen-1-yl]-2-methoxyphenoxy]acetate (CAS 635698-57-6), with molecular formula C21H18Cl2N2O5 and molecular weight 448.06 g/mol. IUPAC: ethyl 2-[4-[2-cyano-3-(3,5-dichloroanilino)-3-oxoprop-1-enyl]-2-methoxyphenoxy]acetate.
Chemical Property Profile of Ethyl 2-[4-[2-cyano-3-[(3,5-dichlorophenyl)amino]-3-oxo-1-propen-1-yl]-2-methoxyphenoxy]acetate
Property Insights of Ethyl 2-[4-[2-cyano-3-[(3,5-dichlorophenyl)amino]-3-oxo-1-propen-1-yl]-2-methoxyphenoxy]acetate
The XLogP value of 4.48958 indicates that Ethyl 2-[4-[2-cyano-3-[(3,5-dichlorophenyl)amino]-3-oxo-1-propen-1-yl]-2-methoxyphenoxy]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 Ethyl 2-[4-[2-cyano-3-[(3,5-dichlorophenyl)amino]-3-oxo-1-propen-1-yl]-2-methoxyphenoxy]acetate. Following Lipinski's Rule of Five, Ethyl 2-[4-[2-cyano-3-[(3,5-dichlorophenyl)amino]-3-oxo-1-propen-1-yl]-2-methoxyphenoxy]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 Ethyl 2-[4-[2-cyano-3-[(3,5-dichlorophenyl)amino]-3-oxo-1-propen-1-yl]-2-methoxyphenoxy]acetate?
The CAS number of Ethyl 2-[4-[2-cyano-3-[(3,5-dichlorophenyl)amino]-3-oxo-1-propen-1-yl]-2-methoxyphenoxy]acetate is 635698-57-6.
What is the molecular formula of Ethyl 2-[4-[2-cyano-3-[(3,5-dichlorophenyl)amino]-3-oxo-1-propen-1-yl]-2-methoxyphenoxy]acetate?
The molecular formula of Ethyl 2-[4-[2-cyano-3-[(3,5-dichlorophenyl)amino]-3-oxo-1-propen-1-yl]-2-methoxyphenoxy]acetate is C21H18Cl2N2O5.
What is the molecular weight of Ethyl 2-[4-[2-cyano-3-[(3,5-dichlorophenyl)amino]-3-oxo-1-propen-1-yl]-2-methoxyphenoxy]acetate?
The molecular weight of Ethyl 2-[4-[2-cyano-3-[(3,5-dichlorophenyl)amino]-3-oxo-1-propen-1-yl]-2-methoxyphenoxy]acetate is 448.06 g/mol.
Where can I buy Ethyl 2-[4-[2-cyano-3-[(3,5-dichlorophenyl)amino]-3-oxo-1-propen-1-yl]-2-methoxyphenoxy]acetate?
You can request a quote for Ethyl 2-[4-[2-cyano-3-[(3,5-dichlorophenyl)amino]-3-oxo-1-propen-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 Ethyl 2-[4-[2-cyano-3-[(3,5-dichlorophenyl)amino]-3-oxo-1-propen-1-yl]-2-methoxyphenoxy]acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[4-[2-cyano-3-[(3,5-dichlorophenyl)amino]-3-oxo-1-propen-1-yl]-2-methoxyphenoxy]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.