CAS RN: 379-18-0
ALPHA-(TRIFLUOROMETHYL)BENZHYDROL
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.20250204 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS379-18-0
- Purity/Analytical Methods: >99.0%
379-18-0 / 2,2,2-trifluoro-1,1-diphenylethanol
Basic Information
CAS
379-18-0
Multi CAS
Yes
Molecular Formula
C14F3H11O
Molecular Weight
252.230000
Exact Mass
252.076199
InChI
InChI=1S/C14H11F3O/c15-14(16,17)13(18,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,18H
InChIKey
MJZYEOYNWIIQIV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
61.94
TPSA
20.23
LogP / Solubility
WLOGP
3.48
MLOGP
3.07
XLogP3
4
Consensus LogP
3.52
Log S (ESOL)
-3.96
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.14
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.43
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.78
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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