Pyrazole, 1-(4-methylphenylsulfonyl)-4-nitro-
TL;DR: Pyrazole, 1-(4-methylphenylsulfonyl)-4-nitro- (CAS 3994-49-8) is a chemical compound with molecular formula C10H9N3O4S and molecular weight 267.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methylphenyl)sulfonyl-4-nitropyrazole
Also Known As: 1-Tosyl-4-nitro-1H-pyrazole, 4-nitro-1-tosyl-1H-pyrazole, 4-Nitro-1H-pyrazolep-toluenesulfonate, 4-nitro-1-(p-tolylsulfonyl)pyrazole, 4-Nitro-1H-pyrazole p-toluene sulfonate
| Molecular Formula | C10H9N3O4S |
|---|---|
| Molecular Weight | 267.03 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 267.03137 |
| Heavy Atoms | 18 |
| Complexity | 406.0 |
Chemical Identifiers
| CAS Number | 3994-49-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C=N2)[N+](=O)[O-] |
| InChIKey | UQXTZCMKWNNBMG-UHFFFAOYSA-N |
Product Overview
Pyrazole, 1-(4-methylphenylsulfonyl)-4-nitro- (CAS 3994-49-8), with molecular formula C10H9N3O4S and molecular weight 267.03 g/mol. IUPAC: 1-(4-methylphenyl)sulfonyl-4-nitropyrazole.
Chemical Property Profile of Pyrazole, 1-(4-methylphenylsulfonyl)-4-nitro-
Property Insights of Pyrazole, 1-(4-methylphenylsulfonyl)-4-nitro-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrazole, 1-(4-methylphenylsulfonyl)-4-nitro-. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrazole, 1-(4-methylphenylsulfonyl)-4-nitro-. Following Lipinski's Rule of Five, Pyrazole, 1-(4-methylphenylsulfonyl)-4-nitro- 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 Pyrazole, 1-(4-methylphenylsulfonyl)-4-nitro-?
The CAS number of Pyrazole, 1-(4-methylphenylsulfonyl)-4-nitro- is 3994-49-8.
What is the molecular formula of Pyrazole, 1-(4-methylphenylsulfonyl)-4-nitro-?
The molecular formula of Pyrazole, 1-(4-methylphenylsulfonyl)-4-nitro- is C10H9N3O4S.
What is the molecular weight of Pyrazole, 1-(4-methylphenylsulfonyl)-4-nitro-?
The molecular weight of Pyrazole, 1-(4-methylphenylsulfonyl)-4-nitro- is 267.03 g/mol.
Where can I buy Pyrazole, 1-(4-methylphenylsulfonyl)-4-nitro-?
You can request a quote for Pyrazole, 1-(4-methylphenylsulfonyl)-4-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrazole, 1-(4-methylphenylsulfonyl)-4-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Pyrazole, 1-(4-methylphenylsulfonyl)-4-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.