Benzhydryl 3-chlorobenzoate
TL;DR: Benzhydryl 3-chlorobenzoate (CAS 71491-84-4) is a chemical compound with molecular formula C20H15ClO2 and molecular weight 322.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzhydryl 3-chlorobenzoate
Also Known As: benzhydryl 3-chlorobenzoate, diphenylmethyl 3-chlorobenzoate, 3-Chlorobenzoic acid benzhydryl ester, J3.192.443J
| Molecular Formula | C20H15ClO2 |
|---|---|
| Molecular Weight | 322.08 g/mol |
| LogP | 5.2864 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 322.07605 |
| Heavy Atoms | 23 |
| Complexity | 745.50665 |
Chemical Identifiers
| CAS Number | 71491-84-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C2=CC=CC=C2)OC(=O)C3=CC(=CC=C3)Cl |
Product Overview
Benzhydryl 3-chlorobenzoate (CAS 71491-84-4), with molecular formula C20H15ClO2 and molecular weight 322.08 g/mol. IUPAC: benzhydryl 3-chlorobenzoate.
Chemical Property Profile of Benzhydryl 3-chlorobenzoate
Property Insights of Benzhydryl 3-chlorobenzoate
The XLogP value of 5.2864 indicates that Benzhydryl 3-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, Benzhydryl 3-chlorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzhydryl 3-chlorobenzoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzhydryl 3-chlorobenzoate?
The CAS number of Benzhydryl 3-chlorobenzoate is 71491-84-4.
What is the molecular formula of Benzhydryl 3-chlorobenzoate?
The molecular formula of Benzhydryl 3-chlorobenzoate is C20H15ClO2.
What is the molecular weight of Benzhydryl 3-chlorobenzoate?
The molecular weight of Benzhydryl 3-chlorobenzoate is 322.08 g/mol.
Where can I buy Benzhydryl 3-chlorobenzoate?
You can request a quote for Benzhydryl 3-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzhydryl 3-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Benzhydryl 3-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.