![CAS 1352898-81-7 IMidazo[1,2-a]pyridine, 6-broMo-5-chloro- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1352898-81-7.gif)
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 |
1352898-81-7 / 6-bromo-5-chloroimidazo[1,2-a]pyridine
Basic Information
CAS
1352898-81-7
Multi CAS
No
Molecular Formula
C7H4BrClN2
Molecular Weight
231.480000
Exact Mass
229.924640
SMILES
C1=CC2=NC=CN2C(=C1Br)Cl
InChI
InChI=1S/C7H4BrClN2/c8-5-1-2-6-10-3-4-11(6)7(5)9/h1-4H
InChIKey
STOHYIMQKKNYNR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
2
Molar refractivity
47.9
TPSA
17.3
LogP / Solubility
WLOGP
2.75
MLOGP
2.42
XLogP3
3.4
Consensus LogP
2.86
Log S (ESOL)
-3.61
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.44
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.45
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.18
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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