(4-Chlorophenyl) 2,4,6-trimethylbenzenesulfonate
TL;DR: (4-Chlorophenyl) 2,4,6-trimethylbenzenesulfonate (CAS 299968-86-8) is a chemical compound with molecular formula C15H15ClO3S and molecular weight 310.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chlorophenyl) 2,4,6-trimethylbenzenesulfonate
Also Known As: (4-chlorophenyl) 2,4,6-trimethylbenzenesulfonate, 4-chlorophenyl 2,4,6-trimethylbenzene-1-sulfonate, BAS 00064514, 2,4,6-Trimethyl-benzenesulfonic acid 4-chloro-phenyl ester
| Molecular Formula | C15H15ClO3S |
|---|---|
| Molecular Weight | 310.04 g/mol |
| LogP | 4.03296 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 310.04303 |
| Heavy Atoms | 20 |
| Complexity | 711.2091 |
Chemical Identifiers
| CAS Number | 299968-86-8 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)S(=O)(=O)OC2=CC=C(C=C2)Cl)C |
Product Overview
(4-Chlorophenyl) 2,4,6-trimethylbenzenesulfonate (CAS 299968-86-8), with molecular formula C15H15ClO3S and molecular weight 310.04 g/mol. IUPAC: (4-chlorophenyl) 2,4,6-trimethylbenzenesulfonate.
Chemical Property Profile of (4-Chlorophenyl) 2,4,6-trimethylbenzenesulfonate
Property Insights of (4-Chlorophenyl) 2,4,6-trimethylbenzenesulfonate
The XLogP value of 4.03296 indicates that (4-Chlorophenyl) 2,4,6-trimethylbenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, (4-Chlorophenyl) 2,4,6-trimethylbenzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Chlorophenyl) 2,4,6-trimethylbenzenesulfonate 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 (4-Chlorophenyl) 2,4,6-trimethylbenzenesulfonate?
The CAS number of (4-Chlorophenyl) 2,4,6-trimethylbenzenesulfonate is 299968-86-8.
What is the molecular formula of (4-Chlorophenyl) 2,4,6-trimethylbenzenesulfonate?
The molecular formula of (4-Chlorophenyl) 2,4,6-trimethylbenzenesulfonate is C15H15ClO3S.
What is the molecular weight of (4-Chlorophenyl) 2,4,6-trimethylbenzenesulfonate?
The molecular weight of (4-Chlorophenyl) 2,4,6-trimethylbenzenesulfonate is 310.04 g/mol.
Where can I buy (4-Chlorophenyl) 2,4,6-trimethylbenzenesulfonate?
You can request a quote for (4-Chlorophenyl) 2,4,6-trimethylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Chlorophenyl) 2,4,6-trimethylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for (4-Chlorophenyl) 2,4,6-trimethylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.