4-Cyanobenzoic acid 3-chlorophenyl ester
TL;DR: 4-Cyanobenzoic acid 3-chlorophenyl ester (CAS 53327-09-6) 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.
(3-chlorophenyl) 4-cyanobenzoate
Also Known As: 3-chlorophenyl 4-cyanobenzoate, (3-chlorophenyl) 4-cyanobenzoate, 4-Cyanobenzoic acid 3-chlorophenyl ester, Benzoic acid, 4-cyano-, 3-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 | 614.4363 |
Chemical Identifiers
| CAS Number | 53327-09-6 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)OC(=O)C2=CC=C(C=C2)C#N |
Product Overview
4-Cyanobenzoic acid 3-chlorophenyl ester (CAS 53327-09-6), with molecular formula C14H8ClNO2 and molecular weight 257.02 g/mol. IUPAC: (3-chlorophenyl) 4-cyanobenzoate.
Chemical Property Profile of 4-Cyanobenzoic acid 3-chlorophenyl ester
Property Insights of 4-Cyanobenzoic acid 3-chlorophenyl ester
The XLogP value of 3.43088 indicates that 4-Cyanobenzoic acid 3-chlorophenyl ester 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-Cyanobenzoic acid 3-chlorophenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Cyanobenzoic acid 3-chlorophenyl ester 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-Cyanobenzoic acid 3-chlorophenyl ester?
The CAS number of 4-Cyanobenzoic acid 3-chlorophenyl ester is 53327-09-6.
What is the molecular formula of 4-Cyanobenzoic acid 3-chlorophenyl ester?
The molecular formula of 4-Cyanobenzoic acid 3-chlorophenyl ester is C14H8ClNO2.
What is the molecular weight of 4-Cyanobenzoic acid 3-chlorophenyl ester?
The molecular weight of 4-Cyanobenzoic acid 3-chlorophenyl ester is 257.02 g/mol.
Where can I buy 4-Cyanobenzoic acid 3-chlorophenyl ester?
You can request a quote for 4-Cyanobenzoic acid 3-chlorophenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Cyanobenzoic acid 3-chlorophenyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-Cyanobenzoic acid 3-chlorophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.