CAS RN: 379-57-7
4,4′,4”-Trifluorotrityl Alcohol
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.20250131 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: ICTT1466
- Purity/Analytical Methods: >98.0%(GC)
379-57-7 / tris(4-fluorophenyl)methanol
Basic Information
CAS
379-57-7
Multi CAS
Yes
Molecular Formula
C19F3H13O
Molecular Weight
314.300000
Exact Mass
314.091850
InChI
InChI=1S/C19H13F3O/c20-16-7-1-13(2-8-16)19(23,14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-12,23H
InChIKey
JALVMPWRAMMHQY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
18
Fraction Csp3
0.05
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
81.3
TPSA
20.23
LogP / Solubility
WLOGP
4.39
MLOGP
3.88
XLogP3
4.5
Consensus LogP
4.26
Log S (ESOL)
-4.93
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.31
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.71
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)
-1.52
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
