CAS RN: 22543-52-8
4,4′-BIS(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.20250806 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS22543-52-8
- Purity/Analytical Methods: >99.0%
22543-52-8 / bis[4-(trifluoromethyl)phenyl]methanol
Basic Information
CAS
22543-52-8
Multi CAS
No
Molecular Formula
C15H10F6O
Molecular Weight
320.230000
Exact Mass
320.063584
SMILES
C1=CC(=CC=C1C(C2=CC=C(C=C2)C(F)(F)F)O)C(F)(F)F
InChI
InChI=1S/C15H10F6O/c16-14(17,18)11-5-1-9(2-6-11)13(22)10-3-7-12(8-4-10)15(19,20)21/h1-8,13,22H
InChIKey
QSLVYJZPTOWIRI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
66.95
TPSA
20.23
LogP / Solubility
WLOGP
4.81
MLOGP
4.24
XLogP3
4.5
Consensus LogP
4.52
Log S (ESOL)
-5.12
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.66
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.97
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)
-1.26
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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