![CAS 1781699-52-2 1-(8-Bromo-imidazo[1,2-a]pyridin-3-yl)-ethanone molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1781699-52-2.gif)
CAS RN: 1781699-52-2
1-(8-Bromo-imidazo[1,2-a]pyridin-3-yl)-ethanone
- Product code: SSC-078458
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
1781699-52-2 / 1-(8-bromoimidazo[1,2-a]pyridin-3-yl)ethanone
Basic Information
CAS
1781699-52-2
Multi CAS
No
Molecular Formula
C9H7BrN2O
Molecular Weight
239.070000
Exact Mass
237.974180
SMILES
CC(=O)C1=CN=C2N1C=CC=C2Br
InChI
InChI=1S/C9H7BrN2O/c1-6(13)8-5-11-9-7(10)3-2-4-12(8)9/h2-5H,1H3
InChIKey
MHIWHGWOMMPETN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
52.9
TPSA
34.37
LogP / Solubility
WLOGP
2.3
MLOGP
2.03
XLogP3
2.5
Consensus LogP
2.28
Log S (ESOL)
-3.22
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.18
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.24
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)
-2.55
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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