CAS RN: 1361825-40-2
(6-TrifluoroMethoxy-pyridin-3-yl)-Methanol
Product Availability
Choose a grade to view its available package options.
5 package records1 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251027 | 25mg / 50mg / 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINT888043
1361825-40-2 / [6-(trifluoromethoxy)-3-pyridinyl]methanol
Basic Information
CAS
1361825-40-2
Multi CAS
No
Molecular Formula
C7H6F3NO2
Molecular Weight
193.120000
Exact Mass
193.035063
SMILES
C1=CC(=NC=C1CO)OC(F)(F)F
InChI
InChI=1S/C7H6F3NO2/c8-7(9,10)13-6-2-1-5(4-12)3-11-6/h1-3,12H,4H2
InChIKey
SSCKSSXOCYZTDK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
36.84
TPSA
42.35
LogP / Solubility
WLOGP
1.47
MLOGP
1.29
XLogP3
1.5
Consensus LogP
1.42
Log S (ESOL)
-2.17
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.21
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.38
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)
-2.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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