2-氯对甲苯磺酰氯
TL;DR: 2-氯对甲苯磺酰氯 (CAS 54185-81-8) 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.
2-氯对甲苯磺酰氯
3-chloro-4-methylbenzenesulfonyl chloride
Also Known As: 3-Chloro-4-methylbenzenesulfonyl chloride, 3-CHLORO-4-METHYLBENZENE-1-SULFONYL CHLORIDE, 3-chloro-4-methylbenzenesulphonyl chloride, 2-chloro-p-toluenesulfochloride, NCIOpen2_006167
| Molecular Formula | C7H6Cl2O2S |
|---|---|
| Molecular Weight | 223.95 g/mol |
| LogP | 3.6 |
| 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 | 54185-81-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)Cl)Cl |
| InChIKey | GNYVVCRRZRVBDD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-氯对甲苯磺酰氯 (CAS 54185-81-8), with molecular formula C7H6Cl2O2S and molecular weight 223.95 g/mol. IUPAC: 3-chloro-4-methylbenzenesulfonyl chloride.
Chemical Property Profile of 2-氯对甲苯磺酰氯
Property Insights of 2-氯对甲苯磺酰氯
The XLogP value of 3.6 indicates that 2-氯对甲苯磺酰氯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.5 Ų, 2-氯对甲苯磺酰氯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-氯对甲苯磺酰氯 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 2-氯对甲苯磺酰氯?
The CAS number of 2-氯对甲苯磺酰氯 is 54185-81-8.
What is the molecular formula of 2-氯对甲苯磺酰氯?
The molecular formula of 2-氯对甲苯磺酰氯 is C7H6Cl2O2S.
What is the molecular weight of 2-氯对甲苯磺酰氯?
The molecular weight of 2-氯对甲苯磺酰氯 is 223.95 g/mol.
Where can I buy 2-氯对甲苯磺酰氯?
You can request a quote for 2-氯对甲苯磺酰氯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-氯对甲苯磺酰氯?
Yes, KEHONG BIO provides custom synthesis services for 2-氯对甲苯磺酰氯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.