(E)-4-(2-cyano-3-methoxy-3-oxoprop-1-en-1-yl)-2-methoxyphenyl 4-(2,4-dichlorophenoxy)butanoate
TL;DR: (E)-4-(2-cyano-3-methoxy-3-oxoprop-1-en-1-yl)-2-methoxyphenyl 4-(2,4-dichlorophenoxy)butanoate (CAS 469875-80-7) is a chemical compound with molecular formula C22H19Cl2NO6 and molecular weight 463.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (E)-2-cyano-3-[4-[4-(2,4-dichlorophenoxy)butanoyloxy]-3-methoxyphenyl]prop-2-enoate
Also Known As: (E)-4-(2-cyano-3-methoxy-3-oxoprop-1-en-1-yl)-2-methoxyphenyl 4-(2,4-dichlorophenoxy)butanoate, 4-[(1E)-2-cyano-3-methoxy-3-oxoprop-1-en-1-yl]-2-methoxyphenyl 4-(2,4-dichlorophenoxy)butanoate, methyl (2E)-3-{4-[4-(2,4-dichlorophenoxy)butanoyloxy]-3-methoxyphenyl}-2-cyano prop-2-enoate, methyl (E)-2-cyano-3-[4-[4-(2,4-dichlorophenoxy)butanoyloxy]-3-methoxyphenyl]prop-2-enoate
| Molecular Formula | C22H19Cl2NO6 |
|---|---|
| Molecular Weight | 463.06 g/mol |
| LogP | 4.84658 |
| Topological Polar Surface Area | 94.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 463.05893 |
| Heavy Atoms | 31 |
| Complexity | 1029.1466 |
Chemical Identifiers
| CAS Number | 469875-80-7 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)OC)OC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl |
Product Overview
(E)-4-(2-cyano-3-methoxy-3-oxoprop-1-en-1-yl)-2-methoxyphenyl 4-(2,4-dichlorophenoxy)butanoate (CAS 469875-80-7), with molecular formula C22H19Cl2NO6 and molecular weight 463.06 g/mol. IUPAC: methyl (E)-2-cyano-3-[4-[4-(2,4-dichlorophenoxy)butanoyloxy]-3-methoxyphenyl]prop-2-enoate.
Chemical Property Profile of (E)-4-(2-cyano-3-methoxy-3-oxoprop-1-en-1-yl)-2-methoxyphenyl 4-(2,4-dichlorophenoxy)butanoate
Property Insights of (E)-4-(2-cyano-3-methoxy-3-oxoprop-1-en-1-yl)-2-methoxyphenyl 4-(2,4-dichlorophenoxy)butanoate
The XLogP value of 4.84658 indicates that (E)-4-(2-cyano-3-methoxy-3-oxoprop-1-en-1-yl)-2-methoxyphenyl 4-(2,4-dichlorophenoxy)butanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.85 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-(2-cyano-3-methoxy-3-oxoprop-1-en-1-yl)-2-methoxyphenyl 4-(2,4-dichlorophenoxy)butanoate. Following Lipinski's Rule of Five, (E)-4-(2-cyano-3-methoxy-3-oxoprop-1-en-1-yl)-2-methoxyphenyl 4-(2,4-dichlorophenoxy)butanoate has 0 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 (E)-4-(2-cyano-3-methoxy-3-oxoprop-1-en-1-yl)-2-methoxyphenyl 4-(2,4-dichlorophenoxy)butanoate?
The CAS number of (E)-4-(2-cyano-3-methoxy-3-oxoprop-1-en-1-yl)-2-methoxyphenyl 4-(2,4-dichlorophenoxy)butanoate is 469875-80-7.
What is the molecular formula of (E)-4-(2-cyano-3-methoxy-3-oxoprop-1-en-1-yl)-2-methoxyphenyl 4-(2,4-dichlorophenoxy)butanoate?
The molecular formula of (E)-4-(2-cyano-3-methoxy-3-oxoprop-1-en-1-yl)-2-methoxyphenyl 4-(2,4-dichlorophenoxy)butanoate is C22H19Cl2NO6.
What is the molecular weight of (E)-4-(2-cyano-3-methoxy-3-oxoprop-1-en-1-yl)-2-methoxyphenyl 4-(2,4-dichlorophenoxy)butanoate?
The molecular weight of (E)-4-(2-cyano-3-methoxy-3-oxoprop-1-en-1-yl)-2-methoxyphenyl 4-(2,4-dichlorophenoxy)butanoate is 463.06 g/mol.
Where can I buy (E)-4-(2-cyano-3-methoxy-3-oxoprop-1-en-1-yl)-2-methoxyphenyl 4-(2,4-dichlorophenoxy)butanoate?
You can request a quote for (E)-4-(2-cyano-3-methoxy-3-oxoprop-1-en-1-yl)-2-methoxyphenyl 4-(2,4-dichlorophenoxy)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-4-(2-cyano-3-methoxy-3-oxoprop-1-en-1-yl)-2-methoxyphenyl 4-(2,4-dichlorophenoxy)butanoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-(2-cyano-3-methoxy-3-oxoprop-1-en-1-yl)-2-methoxyphenyl 4-(2,4-dichlorophenoxy)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.