Pentachlorophenol sulfate
TL;DR: Pentachlorophenol sulfate (CAS 28166-12-3) is a chemical compound with molecular formula C6HCl5O4S and molecular weight 343.80 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,3,4,5,6-pentachlorophenyl) hydrogen sulfate
Also Known As: Pentachlorophenol sulfate, pentachlorophenol sulphate, Phenol, pentachloro-, hydrogen sulfate, Pentachlorophenyl hydrogen sulfate, (2,3,4,5,6-pentachlorophenyl) hydrogen sulfate
| Molecular Formula | C6HCl5O4S |
|---|---|
| Molecular Weight | 343.80 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 72.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 345.80087 |
| Heavy Atoms | 16 |
| Complexity | 327.0 |
Chemical Identifiers
| CAS Number | 28166-12-3 |
|---|---|
| SMILES | C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)OS(=O)(=O)O |
| InChIKey | YDFLPUPZFCGNMK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentachlorophenol sulfate (CAS 28166-12-3), with molecular formula C6HCl5O4S and molecular weight 343.80 g/mol. IUPAC: (2,3,4,5,6-pentachlorophenyl) hydrogen sulfate.
Chemical Property Profile of Pentachlorophenol sulfate
Property Insights of Pentachlorophenol sulfate
The XLogP value of 4.1 indicates that Pentachlorophenol sulfate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Pentachlorophenol sulfate. Following Lipinski's Rule of Five, Pentachlorophenol sulfate has 1 hydrogen bond donor(s) and 4 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 Pentachlorophenol sulfate?
The CAS number of Pentachlorophenol sulfate is 28166-12-3.
What is the molecular formula of Pentachlorophenol sulfate?
The molecular formula of Pentachlorophenol sulfate is C6HCl5O4S.
What is the molecular weight of Pentachlorophenol sulfate?
The molecular weight of Pentachlorophenol sulfate is 343.80 g/mol.
Where can I buy Pentachlorophenol sulfate?
You can request a quote for Pentachlorophenol sulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentachlorophenol sulfate?
Yes, KEHONG BIO provides custom synthesis services for Pentachlorophenol sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.