1-benzoyl-3-(3-bromophenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
TL;DR: 1-benzoyl-3-(3-bromophenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol (CAS 352349-85-0) is a chemical compound with molecular formula C17H12BrF3N2O2 and molecular weight 412.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(3-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone
Also Known As: 1-benzoyl-3-(3-bromophenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol, [3-(3-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone
| Molecular Formula | C17H12BrF3N2O2 |
|---|---|
| Molecular Weight | 412.00 g/mol |
| LogP | 3.9502 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 412.00342 |
| Heavy Atoms | 25 |
| Complexity | 839.2866 |
Chemical Identifiers
| CAS Number | 352349-85-0 |
|---|---|
| SMILES | C1C(=NN(C1(C(F)(F)F)O)C(=O)C2=CC=CC=C2)C3=CC(=CC=C3)Br |
Product Overview
1-benzoyl-3-(3-bromophenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol (CAS 352349-85-0), with molecular formula C17H12BrF3N2O2 and molecular weight 412.00 g/mol. IUPAC: [3-(3-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone.
Chemical Property Profile of 1-benzoyl-3-(3-bromophenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
Property Insights of 1-benzoyl-3-(3-bromophenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
The XLogP value of 3.9502 indicates that 1-benzoyl-3-(3-bromophenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.9 Ų, 1-benzoyl-3-(3-bromophenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-benzoyl-3-(3-bromophenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol has 1 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 1-benzoyl-3-(3-bromophenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol?
The CAS number of 1-benzoyl-3-(3-bromophenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol is 352349-85-0.
What is the molecular formula of 1-benzoyl-3-(3-bromophenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol?
The molecular formula of 1-benzoyl-3-(3-bromophenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol is C17H12BrF3N2O2.
What is the molecular weight of 1-benzoyl-3-(3-bromophenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol?
The molecular weight of 1-benzoyl-3-(3-bromophenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol is 412.00 g/mol.
Where can I buy 1-benzoyl-3-(3-bromophenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol?
You can request a quote for 1-benzoyl-3-(3-bromophenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol 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-(3-bromophenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol?
Yes, KEHONG BIO provides custom synthesis services for 1-benzoyl-3-(3-bromophenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.