2-(2-Chlorobenzyl)-4-methylphenyl 4-chlorobenzoate
TL;DR: 2-(2-Chlorobenzyl)-4-methylphenyl 4-chlorobenzoate (CAS 68547-97-7) is a chemical compound with molecular formula C21H16Cl2O2 and molecular weight 370.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(2-chlorophenyl)methyl]-4-methylphenyl] 4-chlorobenzoate
Also Known As: 2-(2-chlorobenzyl)-4-methylphenyl 4-chlorobenzoate, [2-[(2-chlorophenyl)methyl]-4-methylphenyl] 4-chlorobenzoate, 2-[(2-CHLOROPHENYL)METHYL]-4-METHYLPHENYL 4-CHLOROBENZOATE
| Molecular Formula | C21H16Cl2O2 |
|---|---|
| Molecular Weight | 370.05 g/mol |
| LogP | 6.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 370.05273 |
| Heavy Atoms | 25 |
| Complexity | 434.0 |
Chemical Identifiers
| CAS Number | 68547-97-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)Cl)CC3=CC=CC=C3Cl |
| InChIKey | GVUDSPRVKMUSGD-UHFFFAOYSA-N |
Product Overview
2-(2-Chlorobenzyl)-4-methylphenyl 4-chlorobenzoate (CAS 68547-97-7), with molecular formula C21H16Cl2O2 and molecular weight 370.05 g/mol. IUPAC: [2-[(2-chlorophenyl)methyl]-4-methylphenyl] 4-chlorobenzoate.
Chemical Property Profile of 2-(2-Chlorobenzyl)-4-methylphenyl 4-chlorobenzoate
Property Insights of 2-(2-Chlorobenzyl)-4-methylphenyl 4-chlorobenzoate
The XLogP value of 6.9 indicates that 2-(2-Chlorobenzyl)-4-methylphenyl 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, 2-(2-Chlorobenzyl)-4-methylphenyl 4-chlorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Chlorobenzyl)-4-methylphenyl 4-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 2-(2-Chlorobenzyl)-4-methylphenyl 4-chlorobenzoate?
The CAS number of 2-(2-Chlorobenzyl)-4-methylphenyl 4-chlorobenzoate is 68547-97-7.
What is the molecular formula of 2-(2-Chlorobenzyl)-4-methylphenyl 4-chlorobenzoate?
The molecular formula of 2-(2-Chlorobenzyl)-4-methylphenyl 4-chlorobenzoate is C21H16Cl2O2.
What is the molecular weight of 2-(2-Chlorobenzyl)-4-methylphenyl 4-chlorobenzoate?
The molecular weight of 2-(2-Chlorobenzyl)-4-methylphenyl 4-chlorobenzoate is 370.05 g/mol.
Where can I buy 2-(2-Chlorobenzyl)-4-methylphenyl 4-chlorobenzoate?
You can request a quote for 2-(2-Chlorobenzyl)-4-methylphenyl 4-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Chlorobenzyl)-4-methylphenyl 4-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Chlorobenzyl)-4-methylphenyl 4-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.