2,4,6-Tris(1-methylethyl)benzenesulfonyl chloride
TL;DR: 2,4,6-Tris(1-methylethyl)benzenesulfonyl chloride (CAS 6553-96-4) is a chemical compound with molecular formula C15H23ClO2S and molecular weight 302.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,6-tri(propan-2-yl)benzenesulfonyl chloride
Also Known As: 2,4,6-Triisopropylbenzenesulfonyl chloride, Trisyl chloride, 2,4,6-triisopropylbenzene-1-sulfonyl chloride, TPSCl, Upamostat Impurity 9
| Molecular Formula | C15H23ClO2S |
|---|---|
| Molecular Weight | 302.11 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 302.11072 |
| Heavy Atoms | 19 |
| Complexity | 363.0 |
Chemical Identifiers
| CAS Number | 6553-96-4 |
|---|---|
| SMILES | CC(C)C1=CC(=C(C(=C1)C(C)C)S(=O)(=O)Cl)C(C)C |
| InChIKey | JAPYIBBSTJFDAK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4,6-Tris(1-methylethyl)benzenesulfonyl chloride (CAS 6553-96-4), with molecular formula C15H23ClO2S and molecular weight 302.11 g/mol. IUPAC: 2,4,6-tri(propan-2-yl)benzenesulfonyl chloride.
Chemical Property Profile of 2,4,6-Tris(1-methylethyl)benzenesulfonyl chloride
Property Insights of 2,4,6-Tris(1-methylethyl)benzenesulfonyl chloride
The XLogP value of 5.3 indicates that 2,4,6-Tris(1-methylethyl)benzenesulfonyl chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.5 Ų, 2,4,6-Tris(1-methylethyl)benzenesulfonyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,6-Tris(1-methylethyl)benzenesulfonyl chloride has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,4,6-Tris(1-methylethyl)benzenesulfonyl chloride?
The CAS number of 2,4,6-Tris(1-methylethyl)benzenesulfonyl chloride is 6553-96-4.
What is the molecular formula of 2,4,6-Tris(1-methylethyl)benzenesulfonyl chloride?
The molecular formula of 2,4,6-Tris(1-methylethyl)benzenesulfonyl chloride is C15H23ClO2S.
What is the molecular weight of 2,4,6-Tris(1-methylethyl)benzenesulfonyl chloride?
The molecular weight of 2,4,6-Tris(1-methylethyl)benzenesulfonyl chloride is 302.11 g/mol.
Where can I buy 2,4,6-Tris(1-methylethyl)benzenesulfonyl chloride?
You can request a quote for 2,4,6-Tris(1-methylethyl)benzenesulfonyl chloride 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-Tris(1-methylethyl)benzenesulfonyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-Tris(1-methylethyl)benzenesulfonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.