2-Propanone, 1-(3-(trifluoromethyl)phenyl)-, O-(3,4,5-trimethoxybenzoyl)oxime
TL;DR: 2-Propanone, 1-(3-(trifluoromethyl)phenyl)-, O-(3,4,5-trimethoxybenzoyl)oxime (CAS 38059-99-3) is a chemical compound with molecular formula C20H20F3NO5 and molecular weight 411.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-1-[3-(trifluoromethyl)phenyl]propan-2-ylideneamino] 3,4,5-trimethoxybenzoate
Also Known As: 1-(3-(Trifluoromethyl)phenyl)-2-propanone O-(3,4,5-trimethoxybenzoyl)oxime, 2-Propanone, 1-(3-(trifluoromethyl)phenyl)-, O-(3,4,5-trimethoxybenzoyl)oxime, (Trimethoxy-3,4,5-benzoyl)oxyimino m-(trifluoromethyl)benzylmethylcetone [French], (Trimethoxy-3,4,5-benzoyl)oxyimino m-(trifluoromethyl)benzylmethylcetone, RefChem:1064309
| Molecular Formula | C20H20F3NO5 |
|---|---|
| Molecular Weight | 411.13 g/mol |
| LogP | 4.5066 |
| Topological Polar Surface Area | 66.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 411.12936 |
| Heavy Atoms | 29 |
| Complexity | 884.22504 |
Chemical Identifiers
| CAS Number | 38059-99-3 |
|---|---|
| SMILES | C/C(=N\OC(=O)C1=CC(=C(C(=C1)OC)OC)OC)/CC2=CC(=CC=C2)C(F)(F)F |
Product Overview
2-Propanone, 1-(3-(trifluoromethyl)phenyl)-, O-(3,4,5-trimethoxybenzoyl)oxime (CAS 38059-99-3), with molecular formula C20H20F3NO5 and molecular weight 411.13 g/mol. IUPAC: [(E)-1-[3-(trifluoromethyl)phenyl]propan-2-ylideneamino] 3,4,5-trimethoxybenzoate.
Chemical Property Profile of 2-Propanone, 1-(3-(trifluoromethyl)phenyl)-, O-(3,4,5-trimethoxybenzoyl)oxime
Property Insights of 2-Propanone, 1-(3-(trifluoromethyl)phenyl)-, O-(3,4,5-trimethoxybenzoyl)oxime
The XLogP value of 4.5066 indicates that 2-Propanone, 1-(3-(trifluoromethyl)phenyl)-, O-(3,4,5-trimethoxybenzoyl)oxime is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propanone, 1-(3-(trifluoromethyl)phenyl)-, O-(3,4,5-trimethoxybenzoyl)oxime. Following Lipinski's Rule of Five, 2-Propanone, 1-(3-(trifluoromethyl)phenyl)-, O-(3,4,5-trimethoxybenzoyl)oxime has 0 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 2-Propanone, 1-(3-(trifluoromethyl)phenyl)-, O-(3,4,5-trimethoxybenzoyl)oxime?
The CAS number of 2-Propanone, 1-(3-(trifluoromethyl)phenyl)-, O-(3,4,5-trimethoxybenzoyl)oxime is 38059-99-3.
What is the molecular formula of 2-Propanone, 1-(3-(trifluoromethyl)phenyl)-, O-(3,4,5-trimethoxybenzoyl)oxime?
The molecular formula of 2-Propanone, 1-(3-(trifluoromethyl)phenyl)-, O-(3,4,5-trimethoxybenzoyl)oxime is C20H20F3NO5.
What is the molecular weight of 2-Propanone, 1-(3-(trifluoromethyl)phenyl)-, O-(3,4,5-trimethoxybenzoyl)oxime?
The molecular weight of 2-Propanone, 1-(3-(trifluoromethyl)phenyl)-, O-(3,4,5-trimethoxybenzoyl)oxime is 411.13 g/mol.
Where can I buy 2-Propanone, 1-(3-(trifluoromethyl)phenyl)-, O-(3,4,5-trimethoxybenzoyl)oxime?
You can request a quote for 2-Propanone, 1-(3-(trifluoromethyl)phenyl)-, O-(3,4,5-trimethoxybenzoyl)oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propanone, 1-(3-(trifluoromethyl)phenyl)-, O-(3,4,5-trimethoxybenzoyl)oxime?
Yes, KEHONG BIO provides custom synthesis services for 2-Propanone, 1-(3-(trifluoromethyl)phenyl)-, O-(3,4,5-trimethoxybenzoyl)oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.