(4-Chlorophenyl) 4-cyanobenzoate
TL;DR: (4-Chlorophenyl) 4-cyanobenzoate (CAS 32792-59-9) is a chemical compound with molecular formula C14H8ClNO2 and molecular weight 257.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chlorophenyl) 4-cyanobenzoate
Also Known As: 4-chlorophenyl 4-cyanobenzoate, (4-chlorophenyl) 4-cyanobenzoate, 4-Cyanobenzoic acid 4-chlorophenyl ester, 4-cyano-benzoic acid-(4-chloro-phenyl ester), Benzoic acid, 4-cyano-, 4-chlorophenyl ester
| Molecular Formula | C14H8ClNO2 |
|---|---|
| Molecular Weight | 257.02 g/mol |
| LogP | 3.43088 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 257.02435 |
| Heavy Atoms | 18 |
| Complexity | 597.1863 |
Chemical Identifiers
| CAS Number | 32792-59-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C#N)C(=O)OC2=CC=C(C=C2)Cl |
Product Overview
(4-Chlorophenyl) 4-cyanobenzoate (CAS 32792-59-9), with molecular formula C14H8ClNO2 and molecular weight 257.02 g/mol. IUPAC: (4-chlorophenyl) 4-cyanobenzoate.
Chemical Property Profile of (4-Chlorophenyl) 4-cyanobenzoate
Property Insights of (4-Chlorophenyl) 4-cyanobenzoate
The XLogP value of 3.43088 indicates that (4-Chlorophenyl) 4-cyanobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.09 Ų, (4-Chlorophenyl) 4-cyanobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Chlorophenyl) 4-cyanobenzoate has 0 hydrogen bond donor(s) and 3 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-Chlorophenyl) 4-cyanobenzoate?
The CAS number of (4-Chlorophenyl) 4-cyanobenzoate is 32792-59-9.
What is the molecular formula of (4-Chlorophenyl) 4-cyanobenzoate?
The molecular formula of (4-Chlorophenyl) 4-cyanobenzoate is C14H8ClNO2.
What is the molecular weight of (4-Chlorophenyl) 4-cyanobenzoate?
The molecular weight of (4-Chlorophenyl) 4-cyanobenzoate is 257.02 g/mol.
Where can I buy (4-Chlorophenyl) 4-cyanobenzoate?
You can request a quote for (4-Chlorophenyl) 4-cyanobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Chlorophenyl) 4-cyanobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (4-Chlorophenyl) 4-cyanobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.