2,6-Dimethylphenyl 4-chlorobenzenesulfonate
TL;DR: 2,6-Dimethylphenyl 4-chlorobenzenesulfonate (CAS 433690-20-1) is a chemical compound with molecular formula C14H13ClO3S and molecular weight 296.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,6-dimethylphenyl) 4-chlorobenzenesulfonate
Also Known As: 2,6-dimethylphenyl 4-chlorobenzenesulfonate, (2,6-dimethylphenyl) 4-chlorobenzenesulfonate, J1.987.162B, 2,6-dimethylphenyl 4-chlorobenzene-1-sulfonate, 4-Chlorobenzenesulfonic acid 2,6-dimethylphenyl ester
| Molecular Formula | C14H13ClO3S |
|---|---|
| Molecular Weight | 296.03 g/mol |
| LogP | 3.72454 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 296.0274 |
| Heavy Atoms | 19 |
| Complexity | 670.88104 |
Chemical Identifiers
| CAS Number | 433690-20-1 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)OS(=O)(=O)C2=CC=C(C=C2)Cl |
Product Overview
2,6-Dimethylphenyl 4-chlorobenzenesulfonate (CAS 433690-20-1), with molecular formula C14H13ClO3S and molecular weight 296.03 g/mol. IUPAC: (2,6-dimethylphenyl) 4-chlorobenzenesulfonate.
Chemical Property Profile of 2,6-Dimethylphenyl 4-chlorobenzenesulfonate
Property Insights of 2,6-Dimethylphenyl 4-chlorobenzenesulfonate
The XLogP value of 3.72454 indicates that 2,6-Dimethylphenyl 4-chlorobenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, 2,6-Dimethylphenyl 4-chlorobenzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Dimethylphenyl 4-chlorobenzenesulfonate 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 2,6-Dimethylphenyl 4-chlorobenzenesulfonate?
The CAS number of 2,6-Dimethylphenyl 4-chlorobenzenesulfonate is 433690-20-1.
What is the molecular formula of 2,6-Dimethylphenyl 4-chlorobenzenesulfonate?
The molecular formula of 2,6-Dimethylphenyl 4-chlorobenzenesulfonate is C14H13ClO3S.
What is the molecular weight of 2,6-Dimethylphenyl 4-chlorobenzenesulfonate?
The molecular weight of 2,6-Dimethylphenyl 4-chlorobenzenesulfonate is 296.03 g/mol.
Where can I buy 2,6-Dimethylphenyl 4-chlorobenzenesulfonate?
You can request a quote for 2,6-Dimethylphenyl 4-chlorobenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Dimethylphenyl 4-chlorobenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Dimethylphenyl 4-chlorobenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.