![CAS 947533-53-1 8-Bromo-2-(4-iodo-phenyl)-imidazo[1,2-a]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/947533-53-1.gif)
CAS RN: 947533-53-1
8-Bromo-2-(4-iodo-phenyl)-imidazo[1,2-a]pyridine
- Product code: SSC-209944
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 | Hong Kong | Inquiry |
947533-53-1 / 8-bromo-2-(4-iodophenyl)imidazo[1,2-a]pyridine
Basic Information
CAS
947533-53-1
Multi CAS
No
Molecular Formula
C13H8BRIN2
Molecular Weight
399.020000
Exact Mass
397.891560
InChI
InChI=1S/C13H8BrIN2/c14-11-2-1-7-17-8-12(16-13(11)17)9-3-5-10(15)6-4-9/h1-8H
InChIKey
JCSFSMCRWIXOEA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
15
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
81.05
TPSA
17.3
LogP / Solubility
WLOGP
4.37
MLOGP
3.87
XLogP3
4.8
Consensus LogP
4.35
Log S (ESOL)
-5.65
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.99
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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