4-Tert-butyl-2,6-dimethylbenzene-1-sulfonyl chloride
TL;DR: 4-Tert-butyl-2,6-dimethylbenzene-1-sulfonyl chloride (CAS 70823-04-0) is a chemical compound with molecular formula C12H17ClO2S and molecular weight 260.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-2,6-dimethylbenzenesulfonyl chloride
Also Known As: 4-tert-butyl-2,6-dimethylbenzenesulfonyl chloride, 4-tert-Butyl-2,6-dimethylbenzene-1-sulfonyl chloride, 4-(tert-Butyl)-2,6-dimethylbenzene-1-sulfonyl chloride, 4-Tert-butyl-2,6-dimethyl-benzenesulfonyl chloride, 2,6-Dimethyl-4-tert-butylbenzenesulfonyl chloride
| Molecular Formula | C12H17ClO2S |
|---|---|
| Molecular Weight | 260.06 g/mol |
| LogP | 3.52844 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 260.06378 |
| Heavy Atoms | 16 |
| Complexity | 487.30566 |
Chemical Identifiers
| CAS Number | 70823-04-0 |
|---|---|
| SMILES | CC1=CC(=CC(=C1S(=O)(=O)Cl)C)C(C)(C)C |
Product Overview
4-Tert-butyl-2,6-dimethylbenzene-1-sulfonyl chloride (CAS 70823-04-0), with molecular formula C12H17ClO2S and molecular weight 260.06 g/mol. IUPAC: 4-tert-butyl-2,6-dimethylbenzenesulfonyl chloride.
Chemical Property Profile of 4-Tert-butyl-2,6-dimethylbenzene-1-sulfonyl chloride
Property Insights of 4-Tert-butyl-2,6-dimethylbenzene-1-sulfonyl chloride
The XLogP value of 3.52844 indicates that 4-Tert-butyl-2,6-dimethylbenzene-1-sulfonyl chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.14 Ų, 4-Tert-butyl-2,6-dimethylbenzene-1-sulfonyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Tert-butyl-2,6-dimethylbenzene-1-sulfonyl chloride has 0 hydrogen bond donor(s) and 2 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-Tert-butyl-2,6-dimethylbenzene-1-sulfonyl chloride?
The CAS number of 4-Tert-butyl-2,6-dimethylbenzene-1-sulfonyl chloride is 70823-04-0.
What is the molecular formula of 4-Tert-butyl-2,6-dimethylbenzene-1-sulfonyl chloride?
The molecular formula of 4-Tert-butyl-2,6-dimethylbenzene-1-sulfonyl chloride is C12H17ClO2S.
What is the molecular weight of 4-Tert-butyl-2,6-dimethylbenzene-1-sulfonyl chloride?
The molecular weight of 4-Tert-butyl-2,6-dimethylbenzene-1-sulfonyl chloride is 260.06 g/mol.
Where can I buy 4-Tert-butyl-2,6-dimethylbenzene-1-sulfonyl chloride?
You can request a quote for 4-Tert-butyl-2,6-dimethylbenzene-1-sulfonyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Tert-butyl-2,6-dimethylbenzene-1-sulfonyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 4-Tert-butyl-2,6-dimethylbenzene-1-sulfonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.