Phenyl 2,4,5-trichlorobenzenesulfonate
TL;DR: Phenyl 2,4,5-trichlorobenzenesulfonate (CAS 105582-99-8) is a chemical compound with molecular formula C12H7Cl3O3S and molecular weight 335.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl 2,4,5-trichlorobenzenesulfonate
Also Known As: phenyl 2,4,5-trichlorobenzenesulfonate, phenyl 2,4,5-trichlorobenzene-1-sulfonate
| Molecular Formula | C12H7Cl3O3S |
|---|---|
| Molecular Weight | 335.92 g/mol |
| LogP | 4.4145 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 335.91815 |
| Heavy Atoms | 19 |
| Complexity | 699.6596 |
Chemical Identifiers
| CAS Number | 105582-99-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)OS(=O)(=O)C2=CC(=C(C=C2Cl)Cl)Cl |
Product Overview
Phenyl 2,4,5-trichlorobenzenesulfonate (CAS 105582-99-8), with molecular formula C12H7Cl3O3S and molecular weight 335.92 g/mol. IUPAC: phenyl 2,4,5-trichlorobenzenesulfonate.
Chemical Property Profile of Phenyl 2,4,5-trichlorobenzenesulfonate
Property Insights of Phenyl 2,4,5-trichlorobenzenesulfonate
The XLogP value of 4.4145 indicates that Phenyl 2,4,5-trichlorobenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, Phenyl 2,4,5-trichlorobenzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl 2,4,5-trichlorobenzenesulfonate has 0 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 Phenyl 2,4,5-trichlorobenzenesulfonate?
The CAS number of Phenyl 2,4,5-trichlorobenzenesulfonate is 105582-99-8.
What is the molecular formula of Phenyl 2,4,5-trichlorobenzenesulfonate?
The molecular formula of Phenyl 2,4,5-trichlorobenzenesulfonate is C12H7Cl3O3S.
What is the molecular weight of Phenyl 2,4,5-trichlorobenzenesulfonate?
The molecular weight of Phenyl 2,4,5-trichlorobenzenesulfonate is 335.92 g/mol.
Where can I buy Phenyl 2,4,5-trichlorobenzenesulfonate?
You can request a quote for Phenyl 2,4,5-trichlorobenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl 2,4,5-trichlorobenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl 2,4,5-trichlorobenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.