Propan-2-oxim-O-(2,2,2-trifluor-imido-acetat)
TL;DR: Propan-2-oxim-O-(2,2,2-trifluor-imido-acetat) (CAS 4078-18-6) is a chemical compound with molecular formula C5H7F3N2O and molecular weight 168.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(propan-2-ylideneamino) 2,2,2-trifluoroethanimidate
Also Known As: Propan-2-oxim-O-(2,2,2-trifluor-imido-acetat), n-{[(1z)-2,2,2-trifluoroethanimidoyl]oxy}propan-2-imine, (propan-2-ylideneamino) 2,2,2-trifluoroethanimidate
| Molecular Formula | C5H7F3N2O |
|---|---|
| Molecular Weight | 168.05 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 45.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 168.05104 |
| Heavy Atoms | 11 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 4078-18-6 |
|---|---|
| SMILES | CC(=NOC(=N)C(F)(F)F)C |
| InChIKey | HHHAKPZDWZTUMC-UHFFFAOYSA-N |
Product Overview
Propan-2-oxim-O-(2,2,2-trifluor-imido-acetat) (CAS 4078-18-6), with molecular formula C5H7F3N2O and molecular weight 168.05 g/mol. IUPAC: (propan-2-ylideneamino) 2,2,2-trifluoroethanimidate.
Chemical Property Profile of Propan-2-oxim-O-(2,2,2-trifluor-imido-acetat)
Property Insights of Propan-2-oxim-O-(2,2,2-trifluor-imido-acetat)
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propan-2-oxim-O-(2,2,2-trifluor-imido-acetat). With a topological polar surface area (TPSA) of 45.4 Ų, Propan-2-oxim-O-(2,2,2-trifluor-imido-acetat) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propan-2-oxim-O-(2,2,2-trifluor-imido-acetat) 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 Propan-2-oxim-O-(2,2,2-trifluor-imido-acetat)?
The CAS number of Propan-2-oxim-O-(2,2,2-trifluor-imido-acetat) is 4078-18-6.
What is the molecular formula of Propan-2-oxim-O-(2,2,2-trifluor-imido-acetat)?
The molecular formula of Propan-2-oxim-O-(2,2,2-trifluor-imido-acetat) is C5H7F3N2O.
What is the molecular weight of Propan-2-oxim-O-(2,2,2-trifluor-imido-acetat)?
The molecular weight of Propan-2-oxim-O-(2,2,2-trifluor-imido-acetat) is 168.05 g/mol.
Where can I buy Propan-2-oxim-O-(2,2,2-trifluor-imido-acetat)?
You can request a quote for Propan-2-oxim-O-(2,2,2-trifluor-imido-acetat) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propan-2-oxim-O-(2,2,2-trifluor-imido-acetat)?
Yes, KEHONG BIO provides custom synthesis services for Propan-2-oxim-O-(2,2,2-trifluor-imido-acetat) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.