CAS RN: 577692-44-5
(R)-1-((R)-1-phenylethyl)-2-(trifluoromethyl)-2,3-dihydropyridin-4(1H)-one
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250320 | 200mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINR926526
577692-44-5 / 1-(1-phenylethyl)-2-(trifluoromethyl)-2,3-dihydropyridin-4-one
Basic Information
CAS
577692-44-5
Multi CAS
Yes
Molecular Formula
C14F3H14NO
Molecular Weight
269.260000
Exact Mass
269.102749
InChI
InChI=1S/C14H14F3NO/c1-10(11-5-3-2-4-6-11)18-8-7-12(19)9-13(18)14(15,16)17/h2-8,10,13H,9H2,1H3
InChIKey
LWILBNUCDOFKEF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
65.3
TPSA
20.31
LogP / Solubility
WLOGP
3.47
MLOGP
3.06
XLogP3
3.2
Consensus LogP
3.24
Log S (ESOL)
-3.8
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.27
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.53
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.9
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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