3,4,5-Tribromo-1-(4-nitrophenyl)-1H-pyrazole
TL;DR: 3,4,5-Tribromo-1-(4-nitrophenyl)-1H-pyrazole (CAS 175135-29-2) is a chemical compound with molecular formula C9H4Br3N3O2 and molecular weight 422.79 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,5-tribromo-1-(4-nitrophenyl)pyrazole
Also Known As: 3,4,5-tribromo-1-(4-nitrophenyl)-1H-pyrazole, 2-(methylthio)nicotinamide, 3,4,5-tribromo-1-(4-nitrophenyl)pyrazole, 1-BROMO-2-PHENYLETHYNYL-BENZENE, 1H-Pyrazole, 3,4,5-tribromo-1-(4-nitrophenyl)-
| Molecular Formula | C9H4Br3N3O2 |
|---|---|
| Molecular Weight | 422.79 g/mol |
| LogP | 4.068 |
| Topological Polar Surface Area | 60.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 422.78537 |
| Heavy Atoms | 17 |
| Complexity | 579.9172 |
Chemical Identifiers
| CAS Number | 175135-29-2 |
|---|---|
| SMILES | C1=CC(=CC=C1N2C(=C(C(=N2)Br)Br)Br)[N+](=O)[O-] |
Product Overview
3,4,5-Tribromo-1-(4-nitrophenyl)-1H-pyrazole (CAS 175135-29-2), with molecular formula C9H4Br3N3O2 and molecular weight 422.79 g/mol. IUPAC: 3,4,5-tribromo-1-(4-nitrophenyl)pyrazole.
Chemical Property Profile of 3,4,5-Tribromo-1-(4-nitrophenyl)-1H-pyrazole
Property Insights of 3,4,5-Tribromo-1-(4-nitrophenyl)-1H-pyrazole
The XLogP value of 4.068 indicates that 3,4,5-Tribromo-1-(4-nitrophenyl)-1H-pyrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4,5-Tribromo-1-(4-nitrophenyl)-1H-pyrazole. Following Lipinski's Rule of Five, 3,4,5-Tribromo-1-(4-nitrophenyl)-1H-pyrazole has 0 hydrogen bond donor(s) and 3 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 3,4,5-Tribromo-1-(4-nitrophenyl)-1H-pyrazole?
The CAS number of 3,4,5-Tribromo-1-(4-nitrophenyl)-1H-pyrazole is 175135-29-2.
What is the molecular formula of 3,4,5-Tribromo-1-(4-nitrophenyl)-1H-pyrazole?
The molecular formula of 3,4,5-Tribromo-1-(4-nitrophenyl)-1H-pyrazole is C9H4Br3N3O2.
What is the molecular weight of 3,4,5-Tribromo-1-(4-nitrophenyl)-1H-pyrazole?
The molecular weight of 3,4,5-Tribromo-1-(4-nitrophenyl)-1H-pyrazole is 422.79 g/mol.
Where can I buy 3,4,5-Tribromo-1-(4-nitrophenyl)-1H-pyrazole?
You can request a quote for 3,4,5-Tribromo-1-(4-nitrophenyl)-1H-pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4,5-Tribromo-1-(4-nitrophenyl)-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 3,4,5-Tribromo-1-(4-nitrophenyl)-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.