![CAS 802829-07-8 1H-Imidazo[4,5-b]pyridine, 2-(2-aminoethyl)- (8CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/802829-07-8.gif)
CAS RN: 802829-07-8
1H-Imidazo[4,5-b]pyridine, 2-(2-aminoethyl)- (8CI)
- Product code: SSC-189204
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: >95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | >95% | 0 Out of Stock | Beijing | Inquiry |
802829-07-8 / 2-(1H-imidazo[4,5-b]pyridin-2-yl)ethanamine
Basic Information
CAS
802829-07-8
Multi CAS
No
Molecular Formula
C8H10N4
Molecular Weight
162.190000
Exact Mass
162.090546
InChI
InChI=1S/C8H10N4/c9-4-3-7-11-6-2-1-5-10-8(6)12-7/h1-2,5H,3-4,9H2,(H,10,11,12)
InChIKey
MLYGWROVAJJJPL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
46.65
TPSA
67.59
LogP / Solubility
WLOGP
0.46
MLOGP
0.4
XLogP3
-0.2
Consensus LogP
0.22
Log S (ESOL)
-1.56
Class (ESOL)
Soluble
Log S (Ali)
-1.22
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.34
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)
-3.38
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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