Pentachlorophenyl salicylate
TL;DR: Pentachlorophenyl salicylate (CAS 36994-69-1) is a chemical compound with molecular formula C13H5Cl5O3 and molecular weight 383.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,3,4,5,6-pentachlorophenyl) 2-hydroxybenzoate
Also Known As: Pentachlorophenyl salicylate, Pentachlorophenyl 2-hydroxybenzoate, Salicylic acid pentachlorophenyl ester, (2,3,4,5,6-pentachlorophenyl) 2-hydroxybenzoate, 2,3,4,5,6-pentachlorophenyl 2-hydroxybenzoate
| Molecular Formula | C13H5Cl5O3 |
|---|---|
| Molecular Weight | 383.87 g/mol |
| LogP | 7.0 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 383.86813 |
| Heavy Atoms | 21 |
| Complexity | 367.0 |
Chemical Identifiers
| CAS Number | 36994-69-1 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)OC2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)O |
| InChIKey | ZMZPNTFEPFRJHW-UHFFFAOYSA-N |
Product Overview
Pentachlorophenyl salicylate (CAS 36994-69-1), with molecular formula C13H5Cl5O3 and molecular weight 383.87 g/mol. IUPAC: (2,3,4,5,6-pentachlorophenyl) 2-hydroxybenzoate.
Chemical Property Profile of Pentachlorophenyl salicylate
Property Insights of Pentachlorophenyl salicylate
The XLogP value of 7.0 indicates that Pentachlorophenyl 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, Pentachlorophenyl salicylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentachlorophenyl 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 Pentachlorophenyl salicylate?
The CAS number of Pentachlorophenyl salicylate is 36994-69-1.
What is the molecular formula of Pentachlorophenyl salicylate?
The molecular formula of Pentachlorophenyl salicylate is C13H5Cl5O3.
What is the molecular weight of Pentachlorophenyl salicylate?
The molecular weight of Pentachlorophenyl salicylate is 383.87 g/mol.
Where can I buy Pentachlorophenyl salicylate?
You can request a quote for Pentachlorophenyl salicylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentachlorophenyl salicylate?
Yes, KEHONG BIO provides custom synthesis services for Pentachlorophenyl salicylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.