6-Methoxy-m-toluenesulfonyl chloride
TL;DR: 6-Methoxy-m-toluenesulfonyl chloride (CAS 88040-86-2) is a chemical compound with molecular formula C8H9ClO3S and molecular weight 220.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxy-5-methylbenzenesulfonyl chloride
Also Known As: 6-Methoxy-m-toluenesulfonyl chloride, 2-Methoxy-5-methylbenzenesulfonyl chloride, zlchem 1048, 2-methoxy-5-methylbenzene-1-sulfonyl chloride, 2-Methoxy-5-methyl-benzenesulfonyl chloride
| Molecular Formula | C8H9ClO3S |
|---|---|
| Molecular Weight | 220.00 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 219.9961 |
| Heavy Atoms | 13 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 88040-86-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)OC)S(=O)(=O)Cl |
| InChIKey | BJYNYQGJTZULJI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Methoxy-m-toluenesulfonyl chloride (CAS 88040-86-2), with molecular formula C8H9ClO3S and molecular weight 220.00 g/mol. IUPAC: 2-methoxy-5-methylbenzenesulfonyl chloride.
Chemical Property Profile of 6-Methoxy-m-toluenesulfonyl chloride
Property Insights of 6-Methoxy-m-toluenesulfonyl chloride
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Methoxy-m-toluenesulfonyl chloride. With a topological polar surface area (TPSA) of 51.8 Ų, 6-Methoxy-m-toluenesulfonyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Methoxy-m-toluenesulfonyl 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 6-Methoxy-m-toluenesulfonyl chloride?
The CAS number of 6-Methoxy-m-toluenesulfonyl chloride is 88040-86-2.
What is the molecular formula of 6-Methoxy-m-toluenesulfonyl chloride?
The molecular formula of 6-Methoxy-m-toluenesulfonyl chloride is C8H9ClO3S.
What is the molecular weight of 6-Methoxy-m-toluenesulfonyl chloride?
The molecular weight of 6-Methoxy-m-toluenesulfonyl chloride is 220.00 g/mol.
Where can I buy 6-Methoxy-m-toluenesulfonyl chloride?
You can request a quote for 6-Methoxy-m-toluenesulfonyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Methoxy-m-toluenesulfonyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 6-Methoxy-m-toluenesulfonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.