4-Methoxy-2,5-dimethylbenzenesulfonyl chloride
TL;DR: 4-Methoxy-2,5-dimethylbenzenesulfonyl chloride (CAS 91179-12-3) is a chemical compound with molecular formula C9H11ClO3S and molecular weight 234.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methoxy-2,5-dimethylbenzenesulfonyl chloride
Also Known As: 4-methoxy-2,5-dimethylbenzenesulfonyl chloride, 4-methoxy-2,5-dimethylbenzene-1-sulfonyl chloride, 4-Methoxy-2,5-dimethyl-benzenesulfonyl chloride, 2,5-Dimethyl-4-methoxybenzenesulfonyl chloride, 4-Methoxy-2,5-dimethyl-benzolsulfonylchlorid
| Molecular Formula | C9H11ClO3S |
|---|---|
| Molecular Weight | 234.01 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 234.01175 |
| Heavy Atoms | 14 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 91179-12-3 |
|---|---|
| SMILES | CC1=CC(=C(C=C1S(=O)(=O)Cl)C)OC |
| InChIKey | RGOCLWBHRMQADB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Methoxy-2,5-dimethylbenzenesulfonyl chloride (CAS 91179-12-3), with molecular formula C9H11ClO3S and molecular weight 234.01 g/mol. IUPAC: 4-methoxy-2,5-dimethylbenzenesulfonyl chloride.
Chemical Property Profile of 4-Methoxy-2,5-dimethylbenzenesulfonyl chloride
Property Insights of 4-Methoxy-2,5-dimethylbenzenesulfonyl chloride
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methoxy-2,5-dimethylbenzenesulfonyl chloride. With a topological polar surface area (TPSA) of 51.8 Ų, 4-Methoxy-2,5-dimethylbenzenesulfonyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methoxy-2,5-dimethylbenzenesulfonyl 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-2,5-dimethylbenzenesulfonyl chloride?
The CAS number of 4-Methoxy-2,5-dimethylbenzenesulfonyl chloride is 91179-12-3.
What is the molecular formula of 4-Methoxy-2,5-dimethylbenzenesulfonyl chloride?
The molecular formula of 4-Methoxy-2,5-dimethylbenzenesulfonyl chloride is C9H11ClO3S.
What is the molecular weight of 4-Methoxy-2,5-dimethylbenzenesulfonyl chloride?
The molecular weight of 4-Methoxy-2,5-dimethylbenzenesulfonyl chloride is 234.01 g/mol.
Where can I buy 4-Methoxy-2,5-dimethylbenzenesulfonyl chloride?
You can request a quote for 4-Methoxy-2,5-dimethylbenzenesulfonyl 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-2,5-dimethylbenzenesulfonyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 4-Methoxy-2,5-dimethylbenzenesulfonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.