![CAS 28279-48-3 IMIDAZO[4,5-B]PYRIDIN-5-OL molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/28279-48-3.gif)
CAS RN: 28279-48-3
IMIDAZO[4,5-B]PYRIDIN-5-OL
Product Availability
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS28279-48-3
- Purity/Analytical Methods: >99.0%
28279-48-3 / 1,4-dihydroimidazo[4,5-b]pyridin-5-one
Basic Information
CAS
28279-48-3
Multi CAS
Yes
Molecular Formula
C6H5N3O
Molecular Weight
135.120000
Exact Mass
135.043262
InChI
InChI=1S/C6H5N3O/c10-5-2-1-4-6(9-5)8-3-7-4/h1-3H,(H2,7,8,9,10)
InChIKey
KTIHRQBDCJLDQX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
9
H-bond acceptors
2
H-bond donors
2
Molar refractivity
36.71
TPSA
61.54
LogP / Solubility
WLOGP
0.25
MLOGP
0.21
XLogP3
-0.2
Consensus LogP
0.09
Log S (ESOL)
-1.5
Class (ESOL)
Soluble
Log S (Ali)
-0.85
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.75
Class (SILICOS-IT)
Very 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)
-3.37
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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