![CAS 185839-74-1 3H-Imidazo[4,5-b]pyridine,3-hydroxy-(9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/185839-74-1.gif)
CAS RN: 185839-74-1
3H-Imidazo[4,5-b]pyridine,3-hydroxy-(9CI)
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260512 | 50mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS185839-74-1
- Purity/Analytical Methods: >99.0%
185839-74-1 / 3-hydroxyimidazo[4,5-b]pyridine
Basic Information
CAS
185839-74-1
Multi CAS
No
Molecular Formula
C6H5N3O
Molecular Weight
135.120000
Exact Mass
135.043262
SMILES
C1=CC2=C(N=C1)N(C=N2)O
InChI
InChI=1S/C6H5N3O/c10-9-4-8-5-2-1-3-7-6(5)9/h1-4,10H
InChIKey
FDDDUCDCULKADH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
9
H-bond acceptors
4
H-bond donors
1
Molar refractivity
34.71
TPSA
50.94
LogP / Solubility
WLOGP
0.67
MLOGP
0.58
XLogP3
0.8
Consensus LogP
0.68
Log S (ESOL)
-1.76
Class (ESOL)
Soluble
Log S (Ali)
-1.15
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.09
Class (SILICOS-IT)
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)
-3.07
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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