1-octanoyl-3-(4-pyridinyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
TL;DR: 1-octanoyl-3-(4-pyridinyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol (CAS 352558-92-0) is a chemical compound with molecular formula C17H22F3N3O2 and molecular weight 357.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-hydroxy-3-pyridin-4-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]octan-1-one
Also Known As: AH-487/13581023, 1-octanoyl-3-(4-pyridinyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol, 1-[5-hydroxy-3-pyridin-4-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]octan-1-one
| Molecular Formula | C17H22F3N3O2 |
|---|---|
| Molecular Weight | 357.17 g/mol |
| LogP | 3.6294 |
| Topological Polar Surface Area | 65.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 357.1664 |
| Heavy Atoms | 25 |
| Complexity | 619.31415 |
Chemical Identifiers
| CAS Number | 352558-92-0 |
|---|---|
| SMILES | CCCCCCCC(=O)N1C(CC(=N1)C2=CC=NC=C2)(C(F)(F)F)O |
Product Overview
1-octanoyl-3-(4-pyridinyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol (CAS 352558-92-0), with molecular formula C17H22F3N3O2 and molecular weight 357.17 g/mol. IUPAC: 1-[5-hydroxy-3-pyridin-4-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]octan-1-one.
Chemical Property Profile of 1-octanoyl-3-(4-pyridinyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
Property Insights of 1-octanoyl-3-(4-pyridinyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
The XLogP value of 3.6294 indicates that 1-octanoyl-3-(4-pyridinyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.79 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-octanoyl-3-(4-pyridinyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol. Following Lipinski's Rule of Five, 1-octanoyl-3-(4-pyridinyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol has 1 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 1-octanoyl-3-(4-pyridinyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol?
The CAS number of 1-octanoyl-3-(4-pyridinyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol is 352558-92-0.
What is the molecular formula of 1-octanoyl-3-(4-pyridinyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol?
The molecular formula of 1-octanoyl-3-(4-pyridinyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol is C17H22F3N3O2.
What is the molecular weight of 1-octanoyl-3-(4-pyridinyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol?
The molecular weight of 1-octanoyl-3-(4-pyridinyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol is 357.17 g/mol.
Where can I buy 1-octanoyl-3-(4-pyridinyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol?
You can request a quote for 1-octanoyl-3-(4-pyridinyl)-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-octanoyl-3-(4-pyridinyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol?
Yes, KEHONG BIO provides custom synthesis services for 1-octanoyl-3-(4-pyridinyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.