2,3,4,5,6-Pentachlorobenzenesulfonic acid
TL;DR: 2,3,4,5,6-Pentachlorobenzenesulfonic acid (CAS 40707-29-7) is a chemical compound with molecular formula C6HCl5O3S and molecular weight 327.81 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,4,5,6-pentachlorobenzenesulfonic acid
Also Known As: 2,3,4,5,6-pentachlorobenzenesulfonic acid, pentachloro-benzenesulfonic acid, 2,3,4,5,6-Pentachlorobenzene-1-sulfonic acid
| Molecular Formula | C6HCl5O3S |
|---|---|
| Molecular Weight | 327.81 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 62.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 327.8089 |
| Heavy Atoms | 15 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 40707-29-7 |
|---|---|
| SMILES | C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)S(=O)(=O)O |
| InChIKey | HTGQVPLFCQARQE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3,4,5,6-Pentachlorobenzenesulfonic acid (CAS 40707-29-7), with molecular formula C6HCl5O3S and molecular weight 327.81 g/mol. IUPAC: 2,3,4,5,6-pentachlorobenzenesulfonic acid.
Chemical Property Profile of 2,3,4,5,6-Pentachlorobenzenesulfonic acid
Property Insights of 2,3,4,5,6-Pentachlorobenzenesulfonic acid
The XLogP value of 3.8 indicates that 2,3,4,5,6-Pentachlorobenzenesulfonic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3,4,5,6-Pentachlorobenzenesulfonic acid. Following Lipinski's Rule of Five, 2,3,4,5,6-Pentachlorobenzenesulfonic acid has 1 hydrogen bond donor(s) and 3 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 2,3,4,5,6-Pentachlorobenzenesulfonic acid?
The CAS number of 2,3,4,5,6-Pentachlorobenzenesulfonic acid is 40707-29-7.
What is the molecular formula of 2,3,4,5,6-Pentachlorobenzenesulfonic acid?
The molecular formula of 2,3,4,5,6-Pentachlorobenzenesulfonic acid is C6HCl5O3S.
What is the molecular weight of 2,3,4,5,6-Pentachlorobenzenesulfonic acid?
The molecular weight of 2,3,4,5,6-Pentachlorobenzenesulfonic acid is 327.81 g/mol.
Where can I buy 2,3,4,5,6-Pentachlorobenzenesulfonic acid?
You can request a quote for 2,3,4,5,6-Pentachlorobenzenesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,4,5,6-Pentachlorobenzenesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,3,4,5,6-Pentachlorobenzenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.