1-(4-Bromobenzoyl)-3-hexyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
TL;DR: 1-(4-Bromobenzoyl)-3-hexyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol (CAS 337354-06-0) is a chemical compound with molecular formula C17H20BrF3N2O2 and molecular weight 420.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-bromophenyl)-[3-hexyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
Also Known As: BAS 01268037, 1-(4-Bromobenzoyl)-3-hexyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol, (4-bromophenyl)-[3-hexyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone, Methanone, (4-bromophenyl)(5-trifluoromethyl-3-hexyl-5-hydroxy-2-pyrazolin-1-yl)-, 4-bromophenyl 3-hexyl-5-hydroxy-5-(trifluoromethyl)(2-pyrazolinyl) ketone
| Molecular Formula | C17H20BrF3N2O2 |
|---|---|
| Molecular Weight | 420.07 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 420.066 |
| Heavy Atoms | 25 |
| Complexity | 505.0 |
Chemical Identifiers
| CAS Number | 337354-06-0 |
|---|---|
| SMILES | CCCCCCC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=CC=C(C=C2)Br |
| InChIKey | SCPNYFGLHWXSSX-UHFFFAOYSA-N |
Product Overview
1-(4-Bromobenzoyl)-3-hexyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol (CAS 337354-06-0), with molecular formula C17H20BrF3N2O2 and molecular weight 420.07 g/mol. IUPAC: (4-bromophenyl)-[3-hexyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone.
Chemical Property Profile of 1-(4-Bromobenzoyl)-3-hexyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
Property Insights of 1-(4-Bromobenzoyl)-3-hexyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
The XLogP value of 5.3 indicates that 1-(4-Bromobenzoyl)-3-hexyl-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-(4-Bromobenzoyl)-3-hexyl-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-(4-Bromobenzoyl)-3-hexyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(4-Bromobenzoyl)-3-hexyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol?
The CAS number of 1-(4-Bromobenzoyl)-3-hexyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol is 337354-06-0.
What is the molecular formula of 1-(4-Bromobenzoyl)-3-hexyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol?
The molecular formula of 1-(4-Bromobenzoyl)-3-hexyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol is C17H20BrF3N2O2.
What is the molecular weight of 1-(4-Bromobenzoyl)-3-hexyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol?
The molecular weight of 1-(4-Bromobenzoyl)-3-hexyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol is 420.07 g/mol.
Where can I buy 1-(4-Bromobenzoyl)-3-hexyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol?
You can request a quote for 1-(4-Bromobenzoyl)-3-hexyl-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-(4-Bromobenzoyl)-3-hexyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Bromobenzoyl)-3-hexyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.