![CAS 1391087-84-5 5-[4-(trifluoromethyl)phenyl]morpholin-3-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1391087-84-5.gif)
CAS RN: 1391087-84-5
5-[4-(trifluoromethyl)phenyl]morpholin-3-one
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250430 | 100mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS1391087-84-5
- Purity/Analytical Methods: >99.0%
1391087-84-5 / 5-[4-(trifluoromethyl)phenyl]morpholin-3-one
Basic Information
CAS
1391087-84-5
Multi CAS
No
Molecular Formula
C11H10F3NO2
Molecular Weight
245.200000
Exact Mass
245.066363
SMILES
C1C(NC(=O)CO1)C2=CC=C(C=C2)C(F)(F)F
InChI
InChI=1S/C11H10F3NO2/c12-11(13,14)8-3-1-7(2-4-8)9-5-17-6-10(16)15-9/h1-4,9H,5-6H2,(H,15,16)
InChIKey
XEWLUIUJLIBKQK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
53.15
TPSA
38.33
LogP / Solubility
WLOGP
1.89
MLOGP
1.67
XLogP3
1.6
Consensus LogP
1.72
Log S (ESOL)
-2.75
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.94
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.94
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.87
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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![CAS 1391194-45-8 5-(2-cyclopropyl-2-oxo-1-phenylethyl)-4,5,6,7-tetrahydrothieno [3,2-c]pyridin-2-yl acetate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1391194-45-8.gif)
