![CAS 713139-54-9 (6-bromo-3H-imidazo[4,5-b]pyridin-2-yl)methanamine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/713139-54-9.gif)
CAS RN: 713139-54-9
(6-bromo-3H-imidazo[4,5-b]pyridin-2-yl)methanamine
- Product code: SSC-180955
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 | Shenzhen | Inquiry |
713139-54-9 / (6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methanamine
Basic Information
CAS
713139-54-9
Multi CAS
No
Molecular Formula
BC7H7Rn4
Molecular Weight
227.060000
Exact Mass
225.985410
InChI
InChI=1S/C7H7BrN4/c8-4-1-5-7(10-3-4)12-6(2-9)11-5/h1,3H,2,9H2,(H,10,11,12)
InChIKey
QZHUZLIIWQQDAF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
49.48
TPSA
67.59
LogP / Solubility
WLOGP
1.18
MLOGP
1.04
XLogP3
0.3
Consensus LogP
0.84
Log S (ESOL)
-2.48
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.27
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.23
Class (SILICOS-IT)
Moderately 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)
-3.27
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
4-Piperidinecarbonitrile,1-cyclopropyl-(9CI)
- CAS RN: 713147-47-8
- Product Code: SSC-180960
-
Acetic acid, 2-(4-propoxyphenoxy)-
- CAS RN: 713509-19-4
- Product Code: starshine_CAS713509-19-4
- Purity/Analytical method: >99.0%
-
-
3-Hydroxy-6-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)pyridine
- CAS RN: 713526-59-1
- Product Code: SSC-180980
-
![CAS 713526-59-1 3-Hydroxy-6-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/713526-59-1.gif)
