1-benzoyl-3-(4-bromophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazole
TL;DR: 1-benzoyl-3-(4-bromophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazole (CAS 313267-84-4) is a chemical compound with molecular formula C22H16BrFN2O and molecular weight 422.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(4-bromophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone
Also Known As: BAS 00547487, 1-benzoyl-3-(4-bromophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazole, [5-(4-bromophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone, [3-(4-bromophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl](phenyl)methanone, (3-(4-bromophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)(phenyl)methanone
| Molecular Formula | C22H16BrFN2O |
|---|---|
| Molecular Weight | 422.04 g/mol |
| LogP | 5.5797 |
| Topological Polar Surface Area | 32.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 422.043 |
| Heavy Atoms | 27 |
| Complexity | 985.08606 |
Chemical Identifiers
| CAS Number | 313267-84-4 |
|---|---|
| SMILES | C1C(N(N=C1C2=CC=C(C=C2)Br)C(=O)C3=CC=CC=C3)C4=CC=C(C=C4)F |
Product Overview
1-benzoyl-3-(4-bromophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazole (CAS 313267-84-4), with molecular formula C22H16BrFN2O and molecular weight 422.04 g/mol. IUPAC: [5-(4-bromophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone.
Chemical Property Profile of 1-benzoyl-3-(4-bromophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazole
Property Insights of 1-benzoyl-3-(4-bromophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazole
The XLogP value of 5.5797 indicates that 1-benzoyl-3-(4-bromophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.67 Ų, 1-benzoyl-3-(4-bromophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-benzoyl-3-(4-bromophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazole has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-benzoyl-3-(4-bromophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazole?
The CAS number of 1-benzoyl-3-(4-bromophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazole is 313267-84-4.
What is the molecular formula of 1-benzoyl-3-(4-bromophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazole?
The molecular formula of 1-benzoyl-3-(4-bromophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazole is C22H16BrFN2O.
What is the molecular weight of 1-benzoyl-3-(4-bromophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazole?
The molecular weight of 1-benzoyl-3-(4-bromophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazole is 422.04 g/mol.
Where can I buy 1-benzoyl-3-(4-bromophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazole?
You can request a quote for 1-benzoyl-3-(4-bromophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-benzoyl-3-(4-bromophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 1-benzoyl-3-(4-bromophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.