CAS RN: 496947-30-9
2-QUINOLIN-2-YL-1-(4-TRIFLUOROMETHYLPHENYL)ETHANOL
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.20260121 | 25g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS496947-30-9
- Purity/Analytical Methods: >99.0%
496947-30-9 / 2-quinolin-2-yl-1-[4-(trifluoromethyl)phenyl]ethanol
Basic Information
CAS
496947-30-9
Multi CAS
No
Molecular Formula
C18F3H14NO
Molecular Weight
317.300000
Exact Mass
317.102749
InChI
InChI=1S/C18H14F3NO/c19-18(20,21)14-8-5-13(6-9-14)17(23)11-15-10-7-12-3-1-2-4-16(12)22-15/h1-10,17,23H,11H2
InChIKey
TWXZARYDNLBGFM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
16
Fraction Csp3
0.17
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
81.85
TPSA
33.12
LogP / Solubility
WLOGP
4.53
MLOGP
4
XLogP3
4.2
Consensus LogP
4.24
Log S (ESOL)
-4.98
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.43
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.84
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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