1-(Benzenesulfonyl)-4-nitropyrazole
TL;DR: 1-(Benzenesulfonyl)-4-nitropyrazole (CAS 121358-77-8) is a chemical compound with molecular formula C9H7N3O4S and molecular weight 253.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(benzenesulfonyl)-4-nitropyrazole
Also Known As: 1-(benzenesulfonyl)-4-nitropyrazole, 4-nitro-1-(phenylsulfonyl)-1H-pyrazole, AE-420/30070015
| Molecular Formula | C9H7N3O4S |
|---|---|
| Molecular Weight | 253.02 g/mol |
| LogP | 1.0283 |
| Topological Polar Surface Area | 95.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 253.01573 |
| Heavy Atoms | 17 |
| Complexity | 647.8903 |
Chemical Identifiers
| CAS Number | 121358-77-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)N2C=C(C=N2)[N+](=O)[O-] |
Product Overview
1-(Benzenesulfonyl)-4-nitropyrazole (CAS 121358-77-8), with molecular formula C9H7N3O4S and molecular weight 253.02 g/mol. IUPAC: 1-(benzenesulfonyl)-4-nitropyrazole.
Chemical Property Profile of 1-(Benzenesulfonyl)-4-nitropyrazole
Property Insights of 1-(Benzenesulfonyl)-4-nitropyrazole
The XLogP value of 1.0283 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Benzenesulfonyl)-4-nitropyrazole. The TPSA of 95.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(Benzenesulfonyl)-4-nitropyrazole. Following Lipinski's Rule of Five, 1-(Benzenesulfonyl)-4-nitropyrazole has 0 hydrogen bond donor(s) and 5 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 1-(Benzenesulfonyl)-4-nitropyrazole?
The CAS number of 1-(Benzenesulfonyl)-4-nitropyrazole is 121358-77-8.
What is the molecular formula of 1-(Benzenesulfonyl)-4-nitropyrazole?
The molecular formula of 1-(Benzenesulfonyl)-4-nitropyrazole is C9H7N3O4S.
What is the molecular weight of 1-(Benzenesulfonyl)-4-nitropyrazole?
The molecular weight of 1-(Benzenesulfonyl)-4-nitropyrazole is 253.02 g/mol.
Where can I buy 1-(Benzenesulfonyl)-4-nitropyrazole?
You can request a quote for 1-(Benzenesulfonyl)-4-nitropyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Benzenesulfonyl)-4-nitropyrazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(Benzenesulfonyl)-4-nitropyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.