![CAS 1779974-61-6 (5-Trifluoromethyl-imidazo[1,2-a]pyridin-2-yl)-methanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1779974-61-6.gif)
CAS RN: 1779974-61-6
(5-Trifluoromethyl-imidazo[1,2-a]pyridin-2-yl)-methanol
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250922 | 1g / 5g / 10g | Confirm by inquiry | Shanghai | 3-5 business days | Inquiry |
- Product code: starshine_CAS1779974-61-6
- Purity/Analytical Methods: >99.0%
1779974-61-6 / [5-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanol
Basic Information
CAS
1779974-61-6
Multi CAS
No
Molecular Formula
C9H7F3N2O
Molecular Weight
216.160000
Exact Mass
216.051047
SMILES
C1=CC2=NC(=CN2C(=C1)C(F)(F)F)CO
InChI
InChI=1S/C9H7F3N2O/c10-9(11,12)7-2-1-3-8-13-6(5-15)4-14(7)8/h1-4,15H,5H2
InChIKey
WXULEPHGQQWMAZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
46.12
TPSA
37.53
LogP / Solubility
WLOGP
1.85
MLOGP
1.63
XLogP3
1.8
Consensus LogP
1.76
Log S (ESOL)
-2.72
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.66
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.72
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.73
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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