4-Bromo-3,5-dimethyl-1-(3-nitrophenyl)sulfonylpyrazole
TL;DR: 4-Bromo-3,5-dimethyl-1-(3-nitrophenyl)sulfonylpyrazole (CAS 525577-64-4) is a chemical compound with molecular formula C11H10BrN3O4S and molecular weight 358.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-3,5-dimethyl-1-(3-nitrophenyl)sulfonylpyrazole
Also Known As: 4-bromo-3,5-dimethyl-1-(3-nitrophenyl)sulfonylpyrazole, 4-bromo-3,5-dimethyl-1-[(3-nitrophenyl)sulfonyl]-1H-pyrazole, 1-[(4-bromo-3,5-dimethylpyrazolyl)sulfonyl]-3-nitrobenzene, 4-bromo-1-({3-nitrophenyl}sulfonyl)-3,5-dimethyl-1H-pyrazole, 4-BROMO-3,5-DIMETHYL-1H-PYRAZOL-1-YL (3-NITROPHENYL) SULFONE
| Molecular Formula | C11H10BrN3O4S |
|---|---|
| Molecular Weight | 358.96 g/mol |
| LogP | 2.40764 |
| Topological Polar Surface Area | 95.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 358.95755 |
| Heavy Atoms | 20 |
| Complexity | 797.99475 |
Chemical Identifiers
| CAS Number | 525577-64-4 |
|---|---|
| SMILES | CC1=C(C(=NN1S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])C)Br |
Product Overview
4-Bromo-3,5-dimethyl-1-(3-nitrophenyl)sulfonylpyrazole (CAS 525577-64-4), with molecular formula C11H10BrN3O4S and molecular weight 358.96 g/mol. IUPAC: 4-bromo-3,5-dimethyl-1-(3-nitrophenyl)sulfonylpyrazole.
Chemical Property Profile of 4-Bromo-3,5-dimethyl-1-(3-nitrophenyl)sulfonylpyrazole
Property Insights of 4-Bromo-3,5-dimethyl-1-(3-nitrophenyl)sulfonylpyrazole
The XLogP value of 2.40764 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromo-3,5-dimethyl-1-(3-nitrophenyl)sulfonylpyrazole. The TPSA of 95.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Bromo-3,5-dimethyl-1-(3-nitrophenyl)sulfonylpyrazole. Following Lipinski's Rule of Five, 4-Bromo-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 4-Bromo-3,5-dimethyl-1-(3-nitrophenyl)sulfonylpyrazole?
The CAS number of 4-Bromo-3,5-dimethyl-1-(3-nitrophenyl)sulfonylpyrazole is 525577-64-4.
What is the molecular formula of 4-Bromo-3,5-dimethyl-1-(3-nitrophenyl)sulfonylpyrazole?
The molecular formula of 4-Bromo-3,5-dimethyl-1-(3-nitrophenyl)sulfonylpyrazole is C11H10BrN3O4S.
What is the molecular weight of 4-Bromo-3,5-dimethyl-1-(3-nitrophenyl)sulfonylpyrazole?
The molecular weight of 4-Bromo-3,5-dimethyl-1-(3-nitrophenyl)sulfonylpyrazole is 358.96 g/mol.
Where can I buy 4-Bromo-3,5-dimethyl-1-(3-nitrophenyl)sulfonylpyrazole?
You can request a quote for 4-Bromo-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 4-Bromo-3,5-dimethyl-1-(3-nitrophenyl)sulfonylpyrazole?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-3,5-dimethyl-1-(3-nitrophenyl)sulfonylpyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.