4-氯甲苯-2-磺酰氯
TL;DR: 4-氯甲苯-2-磺酰氯 (CAS 34981-38-9) is a chemical compound with molecular formula C7H6Cl2O2S and molecular weight 223.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-氯甲苯-2-磺酰氯
5-chloro-2-methylbenzenesulfonyl chloride
Also Known As: 5-chloro-2-methylbenzenesulfonyl chloride, 5-Chloro-2-methylbenzene-1-sulfonyl chloride, 2-Chlorosulfonyl-4-chlorotoluene, 4-Chlorotoluene-2-sulphonyl chloride, 4-chlorotoluene-2-sulphonylchloride
| Molecular Formula | C7H6Cl2O2S |
|---|---|
| Molecular Weight | 223.95 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 223.94655 |
| Heavy Atoms | 12 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 34981-38-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)Cl)S(=O)(=O)Cl |
| InChIKey | VHBFBNCERXCECQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-氯甲苯-2-磺酰氯 (CAS 34981-38-9), with molecular formula C7H6Cl2O2S and molecular weight 223.95 g/mol. IUPAC: 5-chloro-2-methylbenzenesulfonyl chloride.
Chemical Property Profile of 4-氯甲苯-2-磺酰氯
Property Insights of 4-氯甲苯-2-磺酰氯
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-氯甲苯-2-磺酰氯. With a topological polar surface area (TPSA) of 42.5 Ų, 4-氯甲苯-2-磺酰氯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-氯甲苯-2-磺酰氯 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 4-氯甲苯-2-磺酰氯?
The CAS number of 4-氯甲苯-2-磺酰氯 is 34981-38-9.
What is the molecular formula of 4-氯甲苯-2-磺酰氯?
The molecular formula of 4-氯甲苯-2-磺酰氯 is C7H6Cl2O2S.
What is the molecular weight of 4-氯甲苯-2-磺酰氯?
The molecular weight of 4-氯甲苯-2-磺酰氯 is 223.95 g/mol.
Where can I buy 4-氯甲苯-2-磺酰氯?
You can request a quote for 4-氯甲苯-2-磺酰氯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-氯甲苯-2-磺酰氯?
Yes, KEHONG BIO provides custom synthesis services for 4-氯甲苯-2-磺酰氯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.