4-bromo-1-(3-fluorobenzoyl)-1H-pyrazole
TL;DR: 4-bromo-1-(3-fluorobenzoyl)-1H-pyrazole (CAS 489449-94-7) is a chemical compound with molecular formula C10H6BrFN2O and molecular weight 267.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-bromopyrazol-1-yl)-(3-fluorophenyl)methanone
Also Known As: 4-bromo-1-(3-fluorobenzoyl)-1H-pyrazole, (4-bromopyrazol-1-yl)-(3-fluorophenyl)methanone, 4-bromopyrazolyl 3-fluorophenyl ketone, (4-BROMO-1H-PYRAZOL-1-YL)(3-FLUOROPHENYL)METHANONE
| Molecular Formula | C10H6BrFN2O |
|---|---|
| Molecular Weight | 267.96 g/mol |
| LogP | 2.4732 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 267.96475 |
| Heavy Atoms | 15 |
| Complexity | 509.62842 |
Chemical Identifiers
| CAS Number | 489449-94-7 |
|---|---|
| SMILES | C1=CC(=CC(=C1)F)C(=O)N2C=C(C=N2)Br |
Product Overview
4-bromo-1-(3-fluorobenzoyl)-1H-pyrazole (CAS 489449-94-7), with molecular formula C10H6BrFN2O and molecular weight 267.96 g/mol. IUPAC: (4-bromopyrazol-1-yl)-(3-fluorophenyl)methanone.
Chemical Property Profile of 4-bromo-1-(3-fluorobenzoyl)-1H-pyrazole
Property Insights of 4-bromo-1-(3-fluorobenzoyl)-1H-pyrazole
The XLogP value of 2.4732 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-bromo-1-(3-fluorobenzoyl)-1H-pyrazole. With a topological polar surface area (TPSA) of 34.89 Ų, 4-bromo-1-(3-fluorobenzoyl)-1H-pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-bromo-1-(3-fluorobenzoyl)-1H-pyrazole has 0 hydrogen bond donor(s) and 2 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-(3-fluorobenzoyl)-1H-pyrazole?
The CAS number of 4-bromo-1-(3-fluorobenzoyl)-1H-pyrazole is 489449-94-7.
What is the molecular formula of 4-bromo-1-(3-fluorobenzoyl)-1H-pyrazole?
The molecular formula of 4-bromo-1-(3-fluorobenzoyl)-1H-pyrazole is C10H6BrFN2O.
What is the molecular weight of 4-bromo-1-(3-fluorobenzoyl)-1H-pyrazole?
The molecular weight of 4-bromo-1-(3-fluorobenzoyl)-1H-pyrazole is 267.96 g/mol.
Where can I buy 4-bromo-1-(3-fluorobenzoyl)-1H-pyrazole?
You can request a quote for 4-bromo-1-(3-fluorobenzoyl)-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-(3-fluorobenzoyl)-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 4-bromo-1-(3-fluorobenzoyl)-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.