4-(2,2-Dicyanoethenyl)phenyl 2-chlorobenzoate
TL;DR: 4-(2,2-Dicyanoethenyl)phenyl 2-chlorobenzoate (CAS 302938-56-3) is a chemical compound with molecular formula C17H9ClN2O2 and molecular weight 308.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(2,2-dicyanoethenyl)phenyl] 2-chlorobenzoate
Also Known As: 4-(2,2-dicyanoethenyl)phenyl 2-chlorobenzoate, [4-(2,2-dicyanoethenyl)phenyl] 2-chlorobenzoate, 4-(2,2-dicyanoeth-1-en-1-yl)phenyl 2-chlorobenzoate
| Molecular Formula | C17H9ClN2O2 |
|---|---|
| Molecular Weight | 308.04 g/mol |
| LogP | 3.98976 |
| Topological Polar Surface Area | 73.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 308.03525 |
| Heavy Atoms | 22 |
| Complexity | 795.78796 |
Chemical Identifiers
| CAS Number | 302938-56-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)OC2=CC=C(C=C2)C=C(C#N)C#N)Cl |
Product Overview
4-(2,2-Dicyanoethenyl)phenyl 2-chlorobenzoate (CAS 302938-56-3), with molecular formula C17H9ClN2O2 and molecular weight 308.04 g/mol. IUPAC: [4-(2,2-dicyanoethenyl)phenyl] 2-chlorobenzoate.
Chemical Property Profile of 4-(2,2-Dicyanoethenyl)phenyl 2-chlorobenzoate
Property Insights of 4-(2,2-Dicyanoethenyl)phenyl 2-chlorobenzoate
The XLogP value of 3.98976 indicates that 4-(2,2-Dicyanoethenyl)phenyl 2-chlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2,2-Dicyanoethenyl)phenyl 2-chlorobenzoate. Following Lipinski's Rule of Five, 4-(2,2-Dicyanoethenyl)phenyl 2-chlorobenzoate has 0 hydrogen bond donor(s) and 4 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)phenyl 2-chlorobenzoate?
The CAS number of 4-(2,2-Dicyanoethenyl)phenyl 2-chlorobenzoate is 302938-56-3.
What is the molecular formula of 4-(2,2-Dicyanoethenyl)phenyl 2-chlorobenzoate?
The molecular formula of 4-(2,2-Dicyanoethenyl)phenyl 2-chlorobenzoate is C17H9ClN2O2.
What is the molecular weight of 4-(2,2-Dicyanoethenyl)phenyl 2-chlorobenzoate?
The molecular weight of 4-(2,2-Dicyanoethenyl)phenyl 2-chlorobenzoate is 308.04 g/mol.
Where can I buy 4-(2,2-Dicyanoethenyl)phenyl 2-chlorobenzoate?
You can request a quote for 4-(2,2-Dicyanoethenyl)phenyl 2-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)phenyl 2-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,2-Dicyanoethenyl)phenyl 2-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.