Ketone, 3-pyridyl trifluoromethyl, oxime, hydrate
TL;DR: Ketone, 3-pyridyl trifluoromethyl, oxime, hydrate (CAS 64058-32-8) is a chemical compound with molecular formula C7H7F3N2O2 and molecular weight 208.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(NZ)-N-(2,2,2-trifluoro-1-pyridin-3-ylethylidene)hydroxylamine;hydrate
Also Known As: 3-Pyridyl trifluoromethyl ketone oxime hydrate, KETONE, 3-PYRIDYL TRIFLUOROMETHYL, OXIME, HYDRATE, Ethanone, 2,2,2-trifluoro-1-(3-pyridinyl)-, oxime, monohydrate, (NZ)-N-(2,2,2-trifluoro-1-pyridin-3-ylethylidene)hydroxylamine hydrate, RefChem:1088005
| Molecular Formula | C7H7F3N2O2 |
|---|---|
| Molecular Weight | 208.05 g/mol |
| LogP | 0.9975 |
| Topological Polar Surface Area | 76.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 208.04596 |
| Heavy Atoms | 14 |
| Complexity | 310.461 |
Chemical Identifiers
| CAS Number | 64058-32-8 |
|---|---|
| SMILES | C1=CC(=CN=C1)/C(=N/O)/C(F)(F)F.O |
Product Overview
Ketone, 3-pyridyl trifluoromethyl, oxime, hydrate (CAS 64058-32-8), with molecular formula C7H7F3N2O2 and molecular weight 208.05 g/mol. IUPAC: (NZ)-N-(2,2,2-trifluoro-1-pyridin-3-ylethylidene)hydroxylamine;hydrate.
Chemical Property Profile of Ketone, 3-pyridyl trifluoromethyl, oxime, hydrate
Property Insights of Ketone, 3-pyridyl trifluoromethyl, oxime, hydrate
The XLogP value of 0.9975 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ketone, 3-pyridyl trifluoromethyl, oxime, hydrate. The TPSA of 76.98 Ų falls within the moderate polarity range, balancing permeability and solubility for Ketone, 3-pyridyl trifluoromethyl, oxime, hydrate. Following Lipinski's Rule of Five, Ketone, 3-pyridyl trifluoromethyl, oxime, hydrate has 1 hydrogen bond donor(s) and 3 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 Ketone, 3-pyridyl trifluoromethyl, oxime, hydrate?
The CAS number of Ketone, 3-pyridyl trifluoromethyl, oxime, hydrate is 64058-32-8.
What is the molecular formula of Ketone, 3-pyridyl trifluoromethyl, oxime, hydrate?
The molecular formula of Ketone, 3-pyridyl trifluoromethyl, oxime, hydrate is C7H7F3N2O2.
What is the molecular weight of Ketone, 3-pyridyl trifluoromethyl, oxime, hydrate?
The molecular weight of Ketone, 3-pyridyl trifluoromethyl, oxime, hydrate is 208.05 g/mol.
Where can I buy Ketone, 3-pyridyl trifluoromethyl, oxime, hydrate?
You can request a quote for Ketone, 3-pyridyl trifluoromethyl, oxime, hydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ketone, 3-pyridyl trifluoromethyl, oxime, hydrate?
Yes, KEHONG BIO provides custom synthesis services for Ketone, 3-pyridyl trifluoromethyl, oxime, hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.