2,4,6-Trichlorobenzyl 4-chlorobenzoate
TL;DR: 2,4,6-Trichlorobenzyl 4-chlorobenzoate (CAS 302913-99-1) is a chemical compound with molecular formula C14H8Cl4O2 and molecular weight 347.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4,6-trichlorophenyl)methyl 4-chlorobenzoate
Also Known As: 2,4,6-Trichlorobenzyl 4-chlorobenzoate, (2,4,6-trichlorophenyl)methyl 4-chlorobenzoate, 663-958-4, RefChem:442887
| Molecular Formula | C14H8Cl4O2 |
|---|---|
| Molecular Weight | 347.93 g/mol |
| LogP | 5.6572 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 347.92783 |
| Heavy Atoms | 20 |
| Complexity | 615.1173 |
Chemical Identifiers
| CAS Number | 302913-99-1 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)OCC2=C(C=C(C=C2Cl)Cl)Cl)Cl |
Product Overview
2,4,6-Trichlorobenzyl 4-chlorobenzoate (CAS 302913-99-1), with molecular formula C14H8Cl4O2 and molecular weight 347.93 g/mol. IUPAC: (2,4,6-trichlorophenyl)methyl 4-chlorobenzoate.
Chemical Property Profile of 2,4,6-Trichlorobenzyl 4-chlorobenzoate
Property Insights of 2,4,6-Trichlorobenzyl 4-chlorobenzoate
The XLogP value of 5.6572 indicates that 2,4,6-Trichlorobenzyl 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, 2,4,6-Trichlorobenzyl 4-chlorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,6-Trichlorobenzyl 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 2,4,6-Trichlorobenzyl 4-chlorobenzoate?
The CAS number of 2,4,6-Trichlorobenzyl 4-chlorobenzoate is 302913-99-1.
What is the molecular formula of 2,4,6-Trichlorobenzyl 4-chlorobenzoate?
The molecular formula of 2,4,6-Trichlorobenzyl 4-chlorobenzoate is C14H8Cl4O2.
What is the molecular weight of 2,4,6-Trichlorobenzyl 4-chlorobenzoate?
The molecular weight of 2,4,6-Trichlorobenzyl 4-chlorobenzoate is 347.93 g/mol.
Where can I buy 2,4,6-Trichlorobenzyl 4-chlorobenzoate?
You can request a quote for 2,4,6-Trichlorobenzyl 4-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,6-Trichlorobenzyl 4-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-Trichlorobenzyl 4-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.