3-(nonafluorobutyl)-1-phenyl-1H-pyrazol-5-ol
TL;DR: 3-(nonafluorobutyl)-1-phenyl-1H-pyrazol-5-ol (CAS 96146-02-0) is a chemical compound with molecular formula C13H7F9N2O and molecular weight 378.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-2-phenyl-1H-pyrazol-3-one
Also Known As: 3-(nonafluorobutyl)-1-phenyl-1H-pyrazol-5-ol, A1149/0053753, 5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-2-phenyl-1H-pyrazol-3-one, 3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1-phenylpyrazol-5-ol, 3-(1,1,2,2,3,3,4,4,4-NONAFLUOROBUTYL)-1-PHENYL-1H-PYRAZOL-5-OL
| Molecular Formula | C13H7F9N2O |
|---|---|
| Molecular Weight | 378.04 g/mol |
| LogP | 4.0903 |
| Topological Polar Surface Area | 37.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 378.04147 |
| Heavy Atoms | 25 |
| Complexity | 804.89746 |
Chemical Identifiers
| CAS Number | 96146-02-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=O)C=C(N2)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F |
Product Overview
3-(nonafluorobutyl)-1-phenyl-1H-pyrazol-5-ol (CAS 96146-02-0), with molecular formula C13H7F9N2O and molecular weight 378.04 g/mol. IUPAC: 5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-2-phenyl-1H-pyrazol-3-one.
Chemical Property Profile of 3-(nonafluorobutyl)-1-phenyl-1H-pyrazol-5-ol
Property Insights of 3-(nonafluorobutyl)-1-phenyl-1H-pyrazol-5-ol
The XLogP value of 4.0903 indicates that 3-(nonafluorobutyl)-1-phenyl-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 37.79 Ų, 3-(nonafluorobutyl)-1-phenyl-1H-pyrazol-5-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(nonafluorobutyl)-1-phenyl-1H-pyrazol-5-ol has 1 hydrogen bond donor(s) and 1 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 3-(nonafluorobutyl)-1-phenyl-1H-pyrazol-5-ol?
The CAS number of 3-(nonafluorobutyl)-1-phenyl-1H-pyrazol-5-ol is 96146-02-0.
What is the molecular formula of 3-(nonafluorobutyl)-1-phenyl-1H-pyrazol-5-ol?
The molecular formula of 3-(nonafluorobutyl)-1-phenyl-1H-pyrazol-5-ol is C13H7F9N2O.
What is the molecular weight of 3-(nonafluorobutyl)-1-phenyl-1H-pyrazol-5-ol?
The molecular weight of 3-(nonafluorobutyl)-1-phenyl-1H-pyrazol-5-ol is 378.04 g/mol.
Where can I buy 3-(nonafluorobutyl)-1-phenyl-1H-pyrazol-5-ol?
You can request a quote for 3-(nonafluorobutyl)-1-phenyl-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 3-(nonafluorobutyl)-1-phenyl-1H-pyrazol-5-ol?
Yes, KEHONG BIO provides custom synthesis services for 3-(nonafluorobutyl)-1-phenyl-1H-pyrazol-5-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.