![Methyl 4-[[4-[2-[(4-chlorophenyl)methylcarbamoyl]-2-cyano-ethenyl]phenoxy]methyl]benzoate structure](/static/products/4742/474261-28-4.webp)
Methyl 4-[[4-[2-[(4-chlorophenyl)methylcarbamoyl]-2-cyano-ethenyl]phenoxy]methyl]benzoate
TL;DR: Methyl 4-[[4-[2-[(4-chlorophenyl)methylcarbamoyl]-2-cyano-ethenyl]phenoxy]methyl]benzoate (CAS 474261-28-4) is a chemical compound with molecular formula C26H21ClN2O4 and molecular weight 460.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[4-[(E)-3-[(4-chlorophenyl)methylamino]-2-cyano-3-oxoprop-1-enyl]phenoxy]methyl]benzoate
Also Known As: Methyl 4-[[4-[2-[(4-chlorophenyl)methylcarbamoyl]-2-cyano-ethenyl]phenoxy]methyl]benzoate, methyl 4-[[4-[(E)-3-[(4-chlorophenyl)methylamino]-2-cyano-3-oxoprop-1-enyl]phenoxy]methyl]benzoate, methyl 4-{[4-(2-{[(4-chlorophenyl)methyl]carbamoyl}-2-cyanoeth-1-en-1-yl)phenoxy]methyl}benzoate
| Molecular Formula | C26H21ClN2O4 |
|---|---|
| Molecular Weight | 460.12 g/mol |
| LogP | 4.92898 |
| Topological Polar Surface Area | 88.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 460.119 |
| Heavy Atoms | 33 |
| Complexity | 1178.9615 |
Chemical Identifiers
| CAS Number | 474261-28-4 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)COC2=CC=C(C=C2)/C=C(\C#N)/C(=O)NCC3=CC=C(C=C3)Cl |
Product Overview
Methyl 4-[[4-[2-[(4-chlorophenyl)methylcarbamoyl]-2-cyano-ethenyl]phenoxy]methyl]benzoate (CAS 474261-28-4), with molecular formula C26H21ClN2O4 and molecular weight 460.12 g/mol. IUPAC: methyl 4-[[4-[(E)-3-[(4-chlorophenyl)methylamino]-2-cyano-3-oxoprop-1-enyl]phenoxy]methyl]benzoate.
Chemical Property Profile of Methyl 4-[[4-[2-[(4-chlorophenyl)methylcarbamoyl]-2-cyano-ethenyl]phenoxy]methyl]benzoate
Property Insights of Methyl 4-[[4-[2-[(4-chlorophenyl)methylcarbamoyl]-2-cyano-ethenyl]phenoxy]methyl]benzoate
The XLogP value of 4.92898 indicates that Methyl 4-[[4-[2-[(4-chlorophenyl)methylcarbamoyl]-2-cyano-ethenyl]phenoxy]methyl]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.42 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-[[4-[2-[(4-chlorophenyl)methylcarbamoyl]-2-cyano-ethenyl]phenoxy]methyl]benzoate. Following Lipinski's Rule of Five, Methyl 4-[[4-[2-[(4-chlorophenyl)methylcarbamoyl]-2-cyano-ethenyl]phenoxy]methyl]benzoate has 1 hydrogen bond donor(s) and 5 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-[[4-[2-[(4-chlorophenyl)methylcarbamoyl]-2-cyano-ethenyl]phenoxy]methyl]benzoate?
The CAS number of Methyl 4-[[4-[2-[(4-chlorophenyl)methylcarbamoyl]-2-cyano-ethenyl]phenoxy]methyl]benzoate is 474261-28-4.
What is the molecular formula of Methyl 4-[[4-[2-[(4-chlorophenyl)methylcarbamoyl]-2-cyano-ethenyl]phenoxy]methyl]benzoate?
The molecular formula of Methyl 4-[[4-[2-[(4-chlorophenyl)methylcarbamoyl]-2-cyano-ethenyl]phenoxy]methyl]benzoate is C26H21ClN2O4.
What is the molecular weight of Methyl 4-[[4-[2-[(4-chlorophenyl)methylcarbamoyl]-2-cyano-ethenyl]phenoxy]methyl]benzoate?
The molecular weight of Methyl 4-[[4-[2-[(4-chlorophenyl)methylcarbamoyl]-2-cyano-ethenyl]phenoxy]methyl]benzoate is 460.12 g/mol.
Where can I buy Methyl 4-[[4-[2-[(4-chlorophenyl)methylcarbamoyl]-2-cyano-ethenyl]phenoxy]methyl]benzoate?
You can request a quote for Methyl 4-[[4-[2-[(4-chlorophenyl)methylcarbamoyl]-2-cyano-ethenyl]phenoxy]methyl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-[[4-[2-[(4-chlorophenyl)methylcarbamoyl]-2-cyano-ethenyl]phenoxy]methyl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-[[4-[2-[(4-chlorophenyl)methylcarbamoyl]-2-cyano-ethenyl]phenoxy]methyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.