Pentamethylbenzenesulphonyl chloride
TL;DR: Pentamethylbenzenesulphonyl chloride (CAS 52499-94-2) is a chemical compound with molecular formula C11H15ClO2S and molecular weight 246.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,4,5,6-pentamethylbenzenesulfonyl chloride
Also Known As: Pentamethylbenzenesulfonyl chloride, Morclofone, 2,3,4,5,6-pentamethylbenzene-1-sulfonyl chloride, 2,3,4,5,6-Pentamethylbenzenesulfonyl chloride, Pentamethylbenzenesulphonyl chloride
| Molecular Formula | C11H15ClO2S |
|---|---|
| Molecular Weight | 246.05 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 246.04813 |
| Heavy Atoms | 15 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 52499-94-2 |
|---|---|
| SMILES | CC1=C(C(=C(C(=C1C)C)S(=O)(=O)Cl)C)C |
| InChIKey | VDBXRBKVRRJRRW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentamethylbenzenesulphonyl chloride (CAS 52499-94-2), with molecular formula C11H15ClO2S and molecular weight 246.05 g/mol. IUPAC: 2,3,4,5,6-pentamethylbenzenesulfonyl chloride.
Chemical Property Profile of Pentamethylbenzenesulphonyl chloride
Property Insights of Pentamethylbenzenesulphonyl chloride
The XLogP value of 3.8 indicates that Pentamethylbenzenesulphonyl 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, Pentamethylbenzenesulphonyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentamethylbenzenesulphonyl 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 Pentamethylbenzenesulphonyl chloride?
The CAS number of Pentamethylbenzenesulphonyl chloride is 52499-94-2.
What is the molecular formula of Pentamethylbenzenesulphonyl chloride?
The molecular formula of Pentamethylbenzenesulphonyl chloride is C11H15ClO2S.
What is the molecular weight of Pentamethylbenzenesulphonyl chloride?
The molecular weight of Pentamethylbenzenesulphonyl chloride is 246.05 g/mol.
Where can I buy Pentamethylbenzenesulphonyl chloride?
You can request a quote for Pentamethylbenzenesulphonyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentamethylbenzenesulphonyl chloride?
Yes, KEHONG BIO provides custom synthesis services for Pentamethylbenzenesulphonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.