![CAS 159679-68-2 (2-Phenyl-imidazo[1,2-a]pyridin-3-yl)-methanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/159679-68-2.gif)
CAS RN: 159679-68-2
(2-Phenyl-imidazo[1,2-a]pyridin-3-yl)-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.20260701 | 50mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS159679-68-2
- Purity/Analytical Methods: >99.0%
159679-68-2 / (2-phenylimidazo[1,2-a]pyridin-3-yl)methanol
Basic Information
CAS
159679-68-2
Multi CAS
No
Molecular Formula
C14H12N2O
Molecular Weight
224.260000
Exact Mass
224.094963
SMILES
C1=CC=C(C=C1)C2=C(N3C=CC=CC3=N2)CO
InChI
InChI=1S/C14H12N2O/c17-10-12-14(11-6-2-1-3-7-11)15-13-8-4-5-9-16(12)13/h1-9,17H,10H2
InChIKey
PIAXUROOVXTADE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
15
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
66.55
TPSA
37.53
LogP / Solubility
WLOGP
2.49
MLOGP
2.2
XLogP3
2.6
Consensus LogP
2.43
Log S (ESOL)
-3.32
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.2
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.43
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.32
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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