ChemDiv1_007647
TL;DR: ChemDiv1_007647 (CAS 352651-66-2) is a chemical compound with molecular formula C16H11F4N3O2 and molecular weight 353.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(4-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-pyridin-4-ylmethanone
Also Known As: ChemDiv1_007647, [3-(4-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl](pyridin-4-yl)methanone, [3-(4-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-pyridin-4-ylmethanone, 3-(4-fluorophenyl)-1-isonicotinoyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol, (3-(4-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)(pyridin-4-yl)methanone
| Molecular Formula | C16H11F4N3O2 |
|---|---|
| Molecular Weight | 353.08 g/mol |
| LogP | 2.7218 |
| Topological Polar Surface Area | 65.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 353.07874 |
| Heavy Atoms | 25 |
| Complexity | 821.5235 |
Chemical Identifiers
| CAS Number | 352651-66-2 |
|---|---|
| SMILES | C1C(=NN(C1(C(F)(F)F)O)C(=O)C2=CC=NC=C2)C3=CC=C(C=C3)F |
Product Overview
ChemDiv1_007647 (CAS 352651-66-2), with molecular formula C16H11F4N3O2 and molecular weight 353.08 g/mol. IUPAC: [3-(4-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-pyridin-4-ylmethanone.
Chemical Property Profile of ChemDiv1_007647
Property Insights of ChemDiv1_007647
The XLogP value of 2.7218 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_007647. The TPSA of 65.79 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_007647. Following Lipinski's Rule of Five, ChemDiv1_007647 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 ChemDiv1_007647?
The CAS number of ChemDiv1_007647 is 352651-66-2.
What is the molecular formula of ChemDiv1_007647?
The molecular formula of ChemDiv1_007647 is C16H11F4N3O2.
What is the molecular weight of ChemDiv1_007647?
The molecular weight of ChemDiv1_007647 is 353.08 g/mol.
Where can I buy ChemDiv1_007647?
You can request a quote for ChemDiv1_007647 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_007647?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_007647 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.