Benzenemethanamine, alpha-phenyl-, 3-chlorobenzoate
TL;DR: Benzenemethanamine, alpha-phenyl-, 3-chlorobenzoate (CAS 171507-26-9) is a chemical compound with molecular formula C20H18ClNO2 and molecular weight 339.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chlorobenzoic acid;diphenylmethanamine
Also Known As: Benzenemethanamine, alpha-phenyl-, 3-chlorobenzoate, alpha-Phenylbenzenemethanamine 3-chlorobenzoate, 3-chlorobenzoic acid;diphenylmethanamine, 3-chlorobenzoic acid; diphenylmethanamine, 3-Chlorobenzoic acid--1,1-diphenylmethanamine (1/1)
| Molecular Formula | C20H18ClNO2 |
|---|---|
| Molecular Weight | 339.10 g/mol |
| LogP | 4.7729 |
| Topological Polar Surface Area | 63.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 339.1026 |
| Heavy Atoms | 24 |
| Complexity | 736.41187 |
Chemical Identifiers
| CAS Number | 171507-26-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C2=CC=CC=C2)N.C1=CC(=CC(=C1)Cl)C(=O)O |
Product Overview
Benzenemethanamine, alpha-phenyl-, 3-chlorobenzoate (CAS 171507-26-9), with molecular formula C20H18ClNO2 and molecular weight 339.10 g/mol. IUPAC: 3-chlorobenzoic acid;diphenylmethanamine.
Chemical Property Profile of Benzenemethanamine, alpha-phenyl-, 3-chlorobenzoate
Property Insights of Benzenemethanamine, alpha-phenyl-, 3-chlorobenzoate
The XLogP value of 4.7729 indicates that Benzenemethanamine, alpha-phenyl-, 3-chlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.32 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenemethanamine, alpha-phenyl-, 3-chlorobenzoate. Following Lipinski's Rule of Five, Benzenemethanamine, alpha-phenyl-, 3-chlorobenzoate has 2 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 Benzenemethanamine, alpha-phenyl-, 3-chlorobenzoate?
The CAS number of Benzenemethanamine, alpha-phenyl-, 3-chlorobenzoate is 171507-26-9.
What is the molecular formula of Benzenemethanamine, alpha-phenyl-, 3-chlorobenzoate?
The molecular formula of Benzenemethanamine, alpha-phenyl-, 3-chlorobenzoate is C20H18ClNO2.
What is the molecular weight of Benzenemethanamine, alpha-phenyl-, 3-chlorobenzoate?
The molecular weight of Benzenemethanamine, alpha-phenyl-, 3-chlorobenzoate is 339.10 g/mol.
Where can I buy Benzenemethanamine, alpha-phenyl-, 3-chlorobenzoate?
You can request a quote for Benzenemethanamine, alpha-phenyl-, 3-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenemethanamine, alpha-phenyl-, 3-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Benzenemethanamine, alpha-phenyl-, 3-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.