4-Bromo-1-(2-chloro-5-nitrobenzoyl)-3,5-dimethyl-1H-pyrazole
TL;DR: 4-Bromo-1-(2-chloro-5-nitrobenzoyl)-3,5-dimethyl-1H-pyrazole (CAS 360784-47-0) is a chemical compound with molecular formula C12H9BrClN3O3 and molecular weight 356.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-bromo-3,5-dimethylpyrazol-1-yl)-(2-chloro-5-nitrophenyl)methanone
Also Known As: 4-Bromo-1-(2-chloro-5-nitrobenzoyl)-3,5-dimethyl-1H-pyrazole, (4-bromo-3,5-dimethylpyrazol-1-yl)-(2-chloro-5-nitrophenyl)methanone, (4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)(2-chloro-5-nitrophenyl)methanone, 4-bromo-3,5-dimethylpyrazolyl 2-chloro-5-nitrophenyl ketone, 4-Bromo-1-(2-chloro-5-nitrobenzoyl)-3,5-dimethyl-1H-pyrazole #
| Molecular Formula | C12H9BrClN3O3 |
|---|---|
| Molecular Weight | 356.95 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 356.95157 |
| Heavy Atoms | 20 |
| Complexity | 406.0 |
Chemical Identifiers
| CAS Number | 360784-47-0 |
|---|---|
| SMILES | CC1=C(C(=NN1C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)C)Br |
| InChIKey | GGPUIFKDHLJARS-UHFFFAOYSA-N |
Product Overview
4-Bromo-1-(2-chloro-5-nitrobenzoyl)-3,5-dimethyl-1H-pyrazole (CAS 360784-47-0), with molecular formula C12H9BrClN3O3 and molecular weight 356.95 g/mol. IUPAC: (4-bromo-3,5-dimethylpyrazol-1-yl)-(2-chloro-5-nitrophenyl)methanone.
Chemical Property Profile of 4-Bromo-1-(2-chloro-5-nitrobenzoyl)-3,5-dimethyl-1H-pyrazole
Property Insights of 4-Bromo-1-(2-chloro-5-nitrobenzoyl)-3,5-dimethyl-1H-pyrazole
The XLogP value of 3.7 indicates that 4-Bromo-1-(2-chloro-5-nitrobenzoyl)-3,5-dimethyl-1H-pyrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Bromo-1-(2-chloro-5-nitrobenzoyl)-3,5-dimethyl-1H-pyrazole. Following Lipinski's Rule of Five, 4-Bromo-1-(2-chloro-5-nitrobenzoyl)-3,5-dimethyl-1H-pyrazole has 0 hydrogen bond donor(s) and 4 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-1-(2-chloro-5-nitrobenzoyl)-3,5-dimethyl-1H-pyrazole?
The CAS number of 4-Bromo-1-(2-chloro-5-nitrobenzoyl)-3,5-dimethyl-1H-pyrazole is 360784-47-0.
What is the molecular formula of 4-Bromo-1-(2-chloro-5-nitrobenzoyl)-3,5-dimethyl-1H-pyrazole?
The molecular formula of 4-Bromo-1-(2-chloro-5-nitrobenzoyl)-3,5-dimethyl-1H-pyrazole is C12H9BrClN3O3.
What is the molecular weight of 4-Bromo-1-(2-chloro-5-nitrobenzoyl)-3,5-dimethyl-1H-pyrazole?
The molecular weight of 4-Bromo-1-(2-chloro-5-nitrobenzoyl)-3,5-dimethyl-1H-pyrazole is 356.95 g/mol.
Where can I buy 4-Bromo-1-(2-chloro-5-nitrobenzoyl)-3,5-dimethyl-1H-pyrazole?
You can request a quote for 4-Bromo-1-(2-chloro-5-nitrobenzoyl)-3,5-dimethyl-1H-pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-1-(2-chloro-5-nitrobenzoyl)-3,5-dimethyl-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-1-(2-chloro-5-nitrobenzoyl)-3,5-dimethyl-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.