CAS RN: 886500-21-6
2-CHLORO-6-(TRIFLUOROMETHYL)BENZYL ALCOHOL
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250508 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS886500-21-6
- Purity/Analytical Methods: >99.0%
886500-21-6 / [2-chloro-6-(trifluoromethyl)phenyl]methanol
Basic Information
CAS
886500-21-6
Multi CAS
No
Molecular Formula
C8H6CLF3O
Molecular Weight
210.580000
Exact Mass
210.005927
InChI
InChI=1S/C8H6ClF3O/c9-7-3-1-2-6(5(7)4-13)8(10,11)12/h1-3,13H,4H2
InChIKey
AIXZCUCSYPVDQR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
42.38
TPSA
20.23
LogP / Solubility
WLOGP
2.85
MLOGP
2.51
XLogP3
2.5
Consensus LogP
2.62
Log S (ESOL)
-3.22
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.35
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.52
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.98
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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