5-硝基甲苯-2-磺酰氯
TL;DR: 5-硝基甲苯-2-磺酰氯 (CAS 21320-90-1) is a chemical compound with molecular formula C7H6ClNO4S and molecular weight 234.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-硝基甲苯-2-磺酰氯
2-methyl-4-nitrobenzenesulfonyl chloride
Also Known As: 2-methyl-4-nitrobenzenesulfonyl chloride, 5-Nitrotoluene-2-sulphonyl chloride, 2-methyl-4-nitrobenzene-1-sulfonyl chloride, 5-NITROTOLUENE-2-SULFONYL CHLORIDE, 5-Nitro-o-toluenesulfonyl chloride
| Molecular Formula | C7H6ClNO4S |
|---|---|
| Molecular Weight | 234.97 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 88.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 234.97061 |
| Heavy Atoms | 14 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 21320-90-1 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)[N+](=O)[O-])S(=O)(=O)Cl |
| InChIKey | WREICNIHNBOUJV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-硝基甲苯-2-磺酰氯 (CAS 21320-90-1), with molecular formula C7H6ClNO4S and molecular weight 234.97 g/mol. IUPAC: 2-methyl-4-nitrobenzenesulfonyl chloride.
Chemical Property Profile of 5-硝基甲苯-2-磺酰氯
Property Insights of 5-硝基甲苯-2-磺酰氯
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-硝基甲苯-2-磺酰氯. The TPSA of 88.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-硝基甲苯-2-磺酰氯. Following Lipinski's Rule of Five, 5-硝基甲苯-2-磺酰氯 has 0 hydrogen bond donor(s) and 4 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-硝基甲苯-2-磺酰氯?
The CAS number of 5-硝基甲苯-2-磺酰氯 is 21320-90-1.
What is the molecular formula of 5-硝基甲苯-2-磺酰氯?
The molecular formula of 5-硝基甲苯-2-磺酰氯 is C7H6ClNO4S.
What is the molecular weight of 5-硝基甲苯-2-磺酰氯?
The molecular weight of 5-硝基甲苯-2-磺酰氯 is 234.97 g/mol.
Where can I buy 5-硝基甲苯-2-磺酰氯?
You can request a quote for 5-硝基甲苯-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 5-硝基甲苯-2-磺酰氯?
Yes, KEHONG BIO provides custom synthesis services for 5-硝基甲苯-2-磺酰氯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.