CAS RN: 328947-81-5
2(1H)-Quinolinone, 6-(dimethylamino)-4-(trifluoromethyl)-
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.20260426 | 10mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS328947-81-5
- Purity/Analytical Methods: >99.0%
328947-81-5 / 6-(dimethylamino)-4-(trifluoromethyl)-1H-quinolin-2-one
Basic Information
CAS
328947-81-5
Multi CAS
No
Molecular Formula
C12F3H11N2O
Molecular Weight
256.220000
Exact Mass
256.082347
InChI
InChI=1S/C12H11F3N2O/c1-17(2)7-3-4-10-8(5-7)9(12(13,14)15)6-11(18)16-10/h3-6H,1-2H3,(H,16,18)
InChIKey
JDXONFGBSUBGTN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
10
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
63.9
TPSA
36.1
LogP / Solubility
WLOGP
2.61
MLOGP
2.31
XLogP3
1.9
Consensus LogP
2.27
Log S (ESOL)
-3.42
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.55
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.61
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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