4-Methoxy-2,3,6-trimethylbenzenesulfonyl chloride
TL;DR: 4-Methoxy-2,3,6-trimethylbenzenesulfonyl chloride (CAS 82054-49-7) is a chemical compound with molecular formula C10H13ClO3S and molecular weight 248.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methoxy-2,3,6-trimethylbenzenesulfonyl chloride
Also Known As: 4-Methoxy-2,3,6-trimethylbenzenesulfonyl chloride, Mtr chloride, 4-Methoxy-2,3,6-trimethylbenzene-1-sulfonyl chloride, 4-methoxy-2,3,6-trimethyl-benzenesulfonyl chloride, 4-methoxy-2,3,6-trimethylphenylsulfonyl chloride
| Molecular Formula | C10H13ClO3S |
|---|---|
| Molecular Weight | 248.03 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 248.02739 |
| Heavy Atoms | 15 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 82054-49-7 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1S(=O)(=O)Cl)C)C)OC |
| InChIKey | DWLYVEYCCPEHLX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Methoxy-2,3,6-trimethylbenzenesulfonyl chloride (CAS 82054-49-7), with molecular formula C10H13ClO3S and molecular weight 248.03 g/mol. IUPAC: 4-methoxy-2,3,6-trimethylbenzenesulfonyl chloride.
Chemical Property Profile of 4-Methoxy-2,3,6-trimethylbenzenesulfonyl chloride
Property Insights of 4-Methoxy-2,3,6-trimethylbenzenesulfonyl chloride
The XLogP value of 3.0 indicates that 4-Methoxy-2,3,6-trimethylbenzenesulfonyl chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, 4-Methoxy-2,3,6-trimethylbenzenesulfonyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methoxy-2,3,6-trimethylbenzenesulfonyl chloride 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-Methoxy-2,3,6-trimethylbenzenesulfonyl chloride?
The CAS number of 4-Methoxy-2,3,6-trimethylbenzenesulfonyl chloride is 82054-49-7.
What is the molecular formula of 4-Methoxy-2,3,6-trimethylbenzenesulfonyl chloride?
The molecular formula of 4-Methoxy-2,3,6-trimethylbenzenesulfonyl chloride is C10H13ClO3S.
What is the molecular weight of 4-Methoxy-2,3,6-trimethylbenzenesulfonyl chloride?
The molecular weight of 4-Methoxy-2,3,6-trimethylbenzenesulfonyl chloride is 248.03 g/mol.
Where can I buy 4-Methoxy-2,3,6-trimethylbenzenesulfonyl chloride?
You can request a quote for 4-Methoxy-2,3,6-trimethylbenzenesulfonyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methoxy-2,3,6-trimethylbenzenesulfonyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 4-Methoxy-2,3,6-trimethylbenzenesulfonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.