(2,4,6-Trichlorophenyl) benzenesulfonate
TL;DR: (2,4,6-Trichlorophenyl) benzenesulfonate (CAS 105522-47-2) 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.
(2,4,6-trichlorophenyl) benzenesulfonate
Also Known As: 2,4,6-trichlorophenyl benzenesulfonate, (2,4,6-trichlorophenyl) benzenesulfonate
| Molecular Formula | C12H7Cl3O3S |
|---|---|
| Molecular Weight | 335.92 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 335.91815 |
| Heavy Atoms | 19 |
| Complexity | 378.0 |
Chemical Identifiers
| CAS Number | 105522-47-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2Cl)Cl)Cl |
| InChIKey | DOWTUMQBPSIGNG-UHFFFAOYSA-N |
Product Overview
(2,4,6-Trichlorophenyl) benzenesulfonate (CAS 105522-47-2), with molecular formula C12H7Cl3O3S and molecular weight 335.92 g/mol. IUPAC: (2,4,6-trichlorophenyl) benzenesulfonate.
Chemical Property Profile of (2,4,6-Trichlorophenyl) benzenesulfonate
Property Insights of (2,4,6-Trichlorophenyl) benzenesulfonate
The XLogP value of 4.9 indicates that (2,4,6-Trichlorophenyl) benzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, (2,4,6-Trichlorophenyl) benzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2,4,6-Trichlorophenyl) benzenesulfonate 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 (2,4,6-Trichlorophenyl) benzenesulfonate?
The CAS number of (2,4,6-Trichlorophenyl) benzenesulfonate is 105522-47-2.
What is the molecular formula of (2,4,6-Trichlorophenyl) benzenesulfonate?
The molecular formula of (2,4,6-Trichlorophenyl) benzenesulfonate is C12H7Cl3O3S.
What is the molecular weight of (2,4,6-Trichlorophenyl) benzenesulfonate?
The molecular weight of (2,4,6-Trichlorophenyl) benzenesulfonate is 335.92 g/mol.
Where can I buy (2,4,6-Trichlorophenyl) benzenesulfonate?
You can request a quote for (2,4,6-Trichlorophenyl) benzenesulfonate 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-Trichlorophenyl) benzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for (2,4,6-Trichlorophenyl) benzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.