3,5-Dimethyl-1-(3-nitrophenyl)sulfonylpyrazole
TL;DR: 3,5-Dimethyl-1-(3-nitrophenyl)sulfonylpyrazole (CAS 476649-44-2) is a chemical compound with molecular formula C11H11N3O4S and molecular weight 281.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dimethyl-1-(3-nitrophenyl)sulfonylpyrazole
Also Known As: 3,5-dimethyl-1-(3-nitrophenyl)sulfonylpyrazole, BAS 01549860, 3,5-Dimethyl-1-(3-nitro-benzenesulfonyl)-1H-pyrazole, 3,5-dimethyl-1-(3-nitrobenzenesulfonyl)-1H-pyrazole, 1-[(3,5-dimethylpyrazolyl)sulfonyl]-3-nitrobenzene
| Molecular Formula | C11H11N3O4S |
|---|---|
| Molecular Weight | 281.05 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 281.04703 |
| Heavy Atoms | 19 |
| Complexity | 442.0 |
Chemical Identifiers
| CAS Number | 476649-44-2 |
|---|---|
| SMILES | CC1=CC(=NN1S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])C |
| InChIKey | JRDVAFHVPSTDNG-UHFFFAOYSA-N |
Product Overview
3,5-Dimethyl-1-(3-nitrophenyl)sulfonylpyrazole (CAS 476649-44-2), with molecular formula C11H11N3O4S and molecular weight 281.05 g/mol. IUPAC: 3,5-dimethyl-1-(3-nitrophenyl)sulfonylpyrazole.
Chemical Property Profile of 3,5-Dimethyl-1-(3-nitrophenyl)sulfonylpyrazole
Property Insights of 3,5-Dimethyl-1-(3-nitrophenyl)sulfonylpyrazole
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dimethyl-1-(3-nitrophenyl)sulfonylpyrazole. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Dimethyl-1-(3-nitrophenyl)sulfonylpyrazole. Following Lipinski's Rule of Five, 3,5-Dimethyl-1-(3-nitrophenyl)sulfonylpyrazole 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 3,5-Dimethyl-1-(3-nitrophenyl)sulfonylpyrazole?
The CAS number of 3,5-Dimethyl-1-(3-nitrophenyl)sulfonylpyrazole is 476649-44-2.
What is the molecular formula of 3,5-Dimethyl-1-(3-nitrophenyl)sulfonylpyrazole?
The molecular formula of 3,5-Dimethyl-1-(3-nitrophenyl)sulfonylpyrazole is C11H11N3O4S.
What is the molecular weight of 3,5-Dimethyl-1-(3-nitrophenyl)sulfonylpyrazole?
The molecular weight of 3,5-Dimethyl-1-(3-nitrophenyl)sulfonylpyrazole is 281.05 g/mol.
Where can I buy 3,5-Dimethyl-1-(3-nitrophenyl)sulfonylpyrazole?
You can request a quote for 3,5-Dimethyl-1-(3-nitrophenyl)sulfonylpyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dimethyl-1-(3-nitrophenyl)sulfonylpyrazole?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dimethyl-1-(3-nitrophenyl)sulfonylpyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.