![CAS 1367773-86-1 Ethanone, 1-(2-bromoimidazo[1,2-a]pyridin-3-yl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1367773-86-1.gif)
CAS RN: 1367773-86-1
Ethanone, 1-(2-bromoimidazo[1,2-a]pyridin-3-yl)-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250715 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1367773-86-1
- Purity/Analytical Methods: >99.0%
1367773-86-1 / 1-(2-bromoimidazo[1,2-a]pyridin-3-yl)ethanone
Basic Information
CAS
1367773-86-1
Multi CAS
No
Molecular Formula
C9H7BrN2O
Molecular Weight
239.070000
Exact Mass
237.974180
SMILES
CC(=O)C1=C(N=C2N1C=CC=C2)Br
InChI
InChI=1S/C9H7BrN2O/c1-6(13)8-9(10)11-7-4-2-3-5-12(7)8/h2-5H,1H3
InChIKey
HNLRGZOZGPMYOA-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
2.8
Consensus LogP
2.38
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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