CAS RN: 763027-00-5
(2-amino-6-(trifluoromethyl)phenyl)methanol
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251119 | 250mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS763027-00-5
- Purity/Analytical Methods: >99.0%
763027-00-5 / [2-amino-6-(trifluoromethyl)phenyl]methanol
Basic Information
CAS
763027-00-5
Multi CAS
No
Molecular Formula
C8F3H8NO
Molecular Weight
191.150000
Exact Mass
191.055798
InChI
InChI=1S/C8H8F3NO/c9-8(10,11)6-2-1-3-7(12)5(6)4-13/h1-3,13H,4,12H2
InChIKey
XSXLPYPTYMDAMK-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
2
H-bond donors
2
Molar refractivity
41.78
TPSA
46.25
LogP / Solubility
WLOGP
1.78
MLOGP
1.57
XLogP3
1.8
Consensus LogP
1.72
Log S (ESOL)
-2.42
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.41
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.5
Class (SILICOS-IT)
Moderately 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)
-2.62
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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