1H-Pyrazol-5-ol, 1-phenyl-3-(1,1,2,2-tetrafluoroethyl)-
TL;DR: 1H-Pyrazol-5-ol, 1-phenyl-3-(1,1,2,2-tetrafluoroethyl)- (CAS 96145-99-2) is a chemical compound with molecular formula C11H8F4N2O and molecular weight 260.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenyl-5-(1,1,2,2-tetrafluoroethyl)-1H-pyrazol-3-one
Also Known As: BAS 08812403, 1H-Pyrazol-5-ol, 1-phenyl-3-(1,1,2,2-tetrafluoroethyl)-, 2-phenyl-5-(1,1,2,2-tetrafluoroethyl)-1H-pyrazol-3-one, 1-phenyl-3-(1,1,2,2-tetrafluoroethyl)-1H-pyrazol-5-ol, AB00075418-01
| Molecular Formula | C11H8F4N2O |
|---|---|
| Molecular Weight | 260.06 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 260.05728 |
| Heavy Atoms | 18 |
| Complexity | 364.0 |
Chemical Identifiers
| CAS Number | 96145-99-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=O)C=C(N2)C(C(F)F)(F)F |
| InChIKey | YLSJJYXTCUYPTN-UHFFFAOYSA-N |
Product Overview
1H-Pyrazol-5-ol, 1-phenyl-3-(1,1,2,2-tetrafluoroethyl)- (CAS 96145-99-2), with molecular formula C11H8F4N2O and molecular weight 260.06 g/mol. IUPAC: 2-phenyl-5-(1,1,2,2-tetrafluoroethyl)-1H-pyrazol-3-one.
Chemical Property Profile of 1H-Pyrazol-5-ol, 1-phenyl-3-(1,1,2,2-tetrafluoroethyl)-
Property Insights of 1H-Pyrazol-5-ol, 1-phenyl-3-(1,1,2,2-tetrafluoroethyl)-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrazol-5-ol, 1-phenyl-3-(1,1,2,2-tetrafluoroethyl)-. With a topological polar surface area (TPSA) of 32.3 Ų, 1H-Pyrazol-5-ol, 1-phenyl-3-(1,1,2,2-tetrafluoroethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Pyrazol-5-ol, 1-phenyl-3-(1,1,2,2-tetrafluoroethyl)- has 1 hydrogen bond donor(s) and 6 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 1H-Pyrazol-5-ol, 1-phenyl-3-(1,1,2,2-tetrafluoroethyl)-?
The CAS number of 1H-Pyrazol-5-ol, 1-phenyl-3-(1,1,2,2-tetrafluoroethyl)- is 96145-99-2.
What is the molecular formula of 1H-Pyrazol-5-ol, 1-phenyl-3-(1,1,2,2-tetrafluoroethyl)-?
The molecular formula of 1H-Pyrazol-5-ol, 1-phenyl-3-(1,1,2,2-tetrafluoroethyl)- is C11H8F4N2O.
What is the molecular weight of 1H-Pyrazol-5-ol, 1-phenyl-3-(1,1,2,2-tetrafluoroethyl)-?
The molecular weight of 1H-Pyrazol-5-ol, 1-phenyl-3-(1,1,2,2-tetrafluoroethyl)- is 260.06 g/mol.
Where can I buy 1H-Pyrazol-5-ol, 1-phenyl-3-(1,1,2,2-tetrafluoroethyl)-?
You can request a quote for 1H-Pyrazol-5-ol, 1-phenyl-3-(1,1,2,2-tetrafluoroethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Pyrazol-5-ol, 1-phenyl-3-(1,1,2,2-tetrafluoroethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrazol-5-ol, 1-phenyl-3-(1,1,2,2-tetrafluoroethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.