2-硝基对甲苯磺酰氯
TL;DR: 2-硝基对甲苯磺酰氯 (CAS 54090-41-4) 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.
2-硝基对甲苯磺酰氯
4-methyl-2-nitrobenzenesulfonyl chloride
Also Known As: 2-Nitro-p-toluenesulphonyl chloride, 4-methyl-2-nitrobenzene-1-sulfonyl chloride, 4-methyl-2-nitrobenzenesulfonyl chloride, octyloxy benzoyl chloride, Benzenesulfonylchloride, 4-methyl-2-nitro-
| Molecular Formula | C7H6ClNO4S |
|---|---|
| Molecular Weight | 234.97 g/mol |
| LogP | 2.4 |
| 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 | 54090-41-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)S(=O)(=O)Cl)[N+](=O)[O-] |
| InChIKey | HEVNLMSJUFKWBS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-硝基对甲苯磺酰氯 (CAS 54090-41-4), with molecular formula C7H6ClNO4S and molecular weight 234.97 g/mol. IUPAC: 4-methyl-2-nitrobenzenesulfonyl chloride.
Chemical Property Profile of 2-硝基对甲苯磺酰氯
Property Insights of 2-硝基对甲苯磺酰氯
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-硝基对甲苯磺酰氯. The TPSA of 88.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-硝基对甲苯磺酰氯. Following Lipinski's Rule of Five, 2-硝基对甲苯磺酰氯 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 2-硝基对甲苯磺酰氯?
The CAS number of 2-硝基对甲苯磺酰氯 is 54090-41-4.
What is the molecular formula of 2-硝基对甲苯磺酰氯?
The molecular formula of 2-硝基对甲苯磺酰氯 is C7H6ClNO4S.
What is the molecular weight of 2-硝基对甲苯磺酰氯?
The molecular weight of 2-硝基对甲苯磺酰氯 is 234.97 g/mol.
Where can I buy 2-硝基对甲苯磺酰氯?
You can request a quote for 2-硝基对甲苯磺酰氯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-硝基对甲苯磺酰氯?
Yes, KEHONG BIO provides custom synthesis services for 2-硝基对甲苯磺酰氯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.