5-Chloro-p-xylene-2-sulphonyl chloride
TL;DR: 5-Chloro-p-xylene-2-sulphonyl chloride (CAS 88-49-3) is a chemical compound with molecular formula C8H8Cl2O2S and molecular weight 237.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2,5-dimethylbenzenesulfonyl chloride
Also Known As: 4-chloro-2,5-dimethylbenzenesulfonyl chloride, 4-chloro-2,5-dimethylbenzene-1-sulfonyl chloride, 5-Chloro-p-xylene-2-sulphonyl chloride, Benzenesulfonylchloride, 4-chloro-2,5-dimethyl-, 4-chloro-2, 5-diMethylphenylsulfonyl chloride
| Molecular Formula | C8H8Cl2O2S |
|---|---|
| Molecular Weight | 237.96 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 237.9622 |
| Heavy Atoms | 13 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 88-49-3 |
|---|---|
| SMILES | CC1=CC(=C(C=C1Cl)C)S(=O)(=O)Cl |
| InChIKey | JBYZPUBAISWVDI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Chloro-p-xylene-2-sulphonyl chloride (CAS 88-49-3), with molecular formula C8H8Cl2O2S and molecular weight 237.96 g/mol. IUPAC: 4-chloro-2,5-dimethylbenzenesulfonyl chloride.
Chemical Property Profile of 5-Chloro-p-xylene-2-sulphonyl chloride
Property Insights of 5-Chloro-p-xylene-2-sulphonyl chloride
The XLogP value of 3.3 indicates that 5-Chloro-p-xylene-2-sulphonyl 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, 5-Chloro-p-xylene-2-sulphonyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chloro-p-xylene-2-sulphonyl 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 5-Chloro-p-xylene-2-sulphonyl chloride?
The CAS number of 5-Chloro-p-xylene-2-sulphonyl chloride is 88-49-3.
What is the molecular formula of 5-Chloro-p-xylene-2-sulphonyl chloride?
The molecular formula of 5-Chloro-p-xylene-2-sulphonyl chloride is C8H8Cl2O2S.
What is the molecular weight of 5-Chloro-p-xylene-2-sulphonyl chloride?
The molecular weight of 5-Chloro-p-xylene-2-sulphonyl chloride is 237.96 g/mol.
Where can I buy 5-Chloro-p-xylene-2-sulphonyl chloride?
You can request a quote for 5-Chloro-p-xylene-2-sulphonyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-p-xylene-2-sulphonyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-p-xylene-2-sulphonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.