2,4,6-Tribromophenyl salicylate
TL;DR: 2,4,6-Tribromophenyl salicylate (CAS 96-87-7) is a chemical compound with molecular formula C13H7Br3O3 and molecular weight 447.79 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4,6-tribromophenyl) 2-hydroxybenzoate
Also Known As: Tribromosalol, Tribromsalol, Cordol, 2,4,6-Tribromophenyl salicylate, 2,4,6-tribromophenyl 2-hydroxybenzoate
| Molecular Formula | C13H7Br3O3 |
|---|---|
| Molecular Weight | 447.79 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 449.79248 |
| Heavy Atoms | 19 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 96-87-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)OC2=C(C=C(C=C2Br)Br)Br)O |
| InChIKey | VZWVHUUGXIFDKA-UHFFFAOYSA-N |
Product Overview
2,4,6-Tribromophenyl salicylate (CAS 96-87-7), with molecular formula C13H7Br3O3 and molecular weight 447.79 g/mol. IUPAC: (2,4,6-tribromophenyl) 2-hydroxybenzoate.
Chemical Property Profile of 2,4,6-Tribromophenyl salicylate
Property Insights of 2,4,6-Tribromophenyl salicylate
The XLogP value of 5.8 indicates that 2,4,6-Tribromophenyl salicylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 2,4,6-Tribromophenyl salicylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,6-Tribromophenyl salicylate has 1 hydrogen bond donor(s) and 3 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-Tribromophenyl salicylate?
The CAS number of 2,4,6-Tribromophenyl salicylate is 96-87-7.
What is the molecular formula of 2,4,6-Tribromophenyl salicylate?
The molecular formula of 2,4,6-Tribromophenyl salicylate is C13H7Br3O3.
What is the molecular weight of 2,4,6-Tribromophenyl salicylate?
The molecular weight of 2,4,6-Tribromophenyl salicylate is 447.79 g/mol.
Where can I buy 2,4,6-Tribromophenyl salicylate?
You can request a quote for 2,4,6-Tribromophenyl salicylate 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-Tribromophenyl salicylate?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-Tribromophenyl salicylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.