Phenyl 4-chlorobenzoate
TL;DR: Phenyl 4-chlorobenzoate (CAS 4655-10-1) is a chemical compound with molecular formula C13H9ClO2 and molecular weight 232.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl 4-chlorobenzoate
Also Known As: Phenyl 4-chlorobenzoate, phenyl p-chlorobenzoate, Phenyl 4-chlorobenzoate #, Benzoic acid,4-chloro-, phenyl ester, NCIOpen2_006049
| Molecular Formula | C13H9ClO2 |
|---|---|
| Molecular Weight | 232.03 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.02911 |
| Heavy Atoms | 16 |
| Complexity | 228.0 |
Chemical Identifiers
| CAS Number | 4655-10-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)Cl |
| InChIKey | XXXJKBSLNRMHLH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenyl 4-chlorobenzoate (CAS 4655-10-1), with molecular formula C13H9ClO2 and molecular weight 232.03 g/mol. IUPAC: phenyl 4-chlorobenzoate.
Chemical Property Profile of Phenyl 4-chlorobenzoate
Property Insights of Phenyl 4-chlorobenzoate
The XLogP value of 4.2 indicates that Phenyl 4-chlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Phenyl 4-chlorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl 4-chlorobenzoate has 0 hydrogen bond donor(s) and 2 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 Phenyl 4-chlorobenzoate?
The CAS number of Phenyl 4-chlorobenzoate is 4655-10-1.
What is the molecular formula of Phenyl 4-chlorobenzoate?
The molecular formula of Phenyl 4-chlorobenzoate is C13H9ClO2.
What is the molecular weight of Phenyl 4-chlorobenzoate?
The molecular weight of Phenyl 4-chlorobenzoate is 232.03 g/mol.
Where can I buy Phenyl 4-chlorobenzoate?
You can request a quote for Phenyl 4-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl 4-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl 4-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.