4-(2,2-Dicyanoethenyl)-2-methoxyphenyl 4-chlorobenzoate
TL;DR: 4-(2,2-Dicyanoethenyl)-2-methoxyphenyl 4-chlorobenzoate (CAS 301810-25-3) is a chemical compound with molecular formula C18H11ClN2O3 and molecular weight 338.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(2,2-dicyanoethenyl)-2-methoxyphenyl] 4-chlorobenzoate
Also Known As: 4-(2,2-dicyanoethenyl)-2-methoxyphenyl 4-chlorobenzoate, [4-(2,2-dicyanoethenyl)-2-methoxyphenyl] 4-chlorobenzoate, 4-(2,2-Dicyanoethen-1-yl)-2-methoxyphenyl 4-chlorobenzoate, 4-chlorobenzoic acid[4-(2,2-dicyanovinyl)-2mefhoxy]phenyesfer, 4-clorobenzoicacid[4-(2,2-dicyanovinyl)-2Mefhoxy]phenyesfer
| Molecular Formula | C18H11ClN2O3 |
|---|---|
| Molecular Weight | 338.05 g/mol |
| LogP | 3.99836 |
| Topological Polar Surface Area | 83.11 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 338.0458 |
| Heavy Atoms | 24 |
| Complexity | 858.6174 |
Chemical Identifiers
| CAS Number | 301810-25-3 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C=C(C#N)C#N)OC(=O)C2=CC=C(C=C2)Cl |
Product Overview
4-(2,2-Dicyanoethenyl)-2-methoxyphenyl 4-chlorobenzoate (CAS 301810-25-3), with molecular formula C18H11ClN2O3 and molecular weight 338.05 g/mol. IUPAC: [4-(2,2-dicyanoethenyl)-2-methoxyphenyl] 4-chlorobenzoate.
Chemical Property Profile of 4-(2,2-Dicyanoethenyl)-2-methoxyphenyl 4-chlorobenzoate
Property Insights of 4-(2,2-Dicyanoethenyl)-2-methoxyphenyl 4-chlorobenzoate
The XLogP value of 3.99836 indicates that 4-(2,2-Dicyanoethenyl)-2-methoxyphenyl 4-chlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2,2-Dicyanoethenyl)-2-methoxyphenyl 4-chlorobenzoate. Following Lipinski's Rule of Five, 4-(2,2-Dicyanoethenyl)-2-methoxyphenyl 4-chlorobenzoate has 0 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 4-(2,2-Dicyanoethenyl)-2-methoxyphenyl 4-chlorobenzoate?
The CAS number of 4-(2,2-Dicyanoethenyl)-2-methoxyphenyl 4-chlorobenzoate is 301810-25-3.
What is the molecular formula of 4-(2,2-Dicyanoethenyl)-2-methoxyphenyl 4-chlorobenzoate?
The molecular formula of 4-(2,2-Dicyanoethenyl)-2-methoxyphenyl 4-chlorobenzoate is C18H11ClN2O3.
What is the molecular weight of 4-(2,2-Dicyanoethenyl)-2-methoxyphenyl 4-chlorobenzoate?
The molecular weight of 4-(2,2-Dicyanoethenyl)-2-methoxyphenyl 4-chlorobenzoate is 338.05 g/mol.
Where can I buy 4-(2,2-Dicyanoethenyl)-2-methoxyphenyl 4-chlorobenzoate?
You can request a quote for 4-(2,2-Dicyanoethenyl)-2-methoxyphenyl 4-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2,2-Dicyanoethenyl)-2-methoxyphenyl 4-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,2-Dicyanoethenyl)-2-methoxyphenyl 4-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.