CAS RN: 685126-86-7
(5-bromo-2-(trifluoromethoxy)phenyl)methanol
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.20260410 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS685126-86-7
- Purity/Analytical Methods: >99.0%
685126-86-7 / [5-bromo-2-(trifluoromethoxy)phenyl]methanol
Basic Information
CAS
685126-86-7
Multi CAS
No
Molecular Formula
BC8H6O2Rf3
Molecular Weight
271.030000
Exact Mass
269.950330
InChI
InChI=1S/C8H6BrF3O2/c9-6-1-2-7(5(3-6)4-13)14-8(10,11)12/h1-3,13H,4H2
InChIKey
PMJMORZJWISOPJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
46.75
TPSA
29.46
LogP / Solubility
WLOGP
2.84
MLOGP
2.51
XLogP3
2.7
Consensus LogP
2.68
Log S (ESOL)
-3.49
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.83
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.02
Class (SILICOS-IT)
Slightly 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)
-2.36
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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