![CAS 1263058-69-0 3-bromo-6-fluoro-2-methylimidazo[1,2-a]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1263058-69-0.gif)
CAS RN: 1263058-69-0
3-bromo-6-fluoro-2-methylimidazo[1,2-a]pyridine
- Product code: SSC-033299
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 | Beijing | Inquiry |
1263058-69-0 / 3-bromo-6-fluoro-2-methylimidazo[1,2-a]pyridine
Basic Information
CAS
1263058-69-0
Multi CAS
No
Molecular Formula
C8H6BrFN2
Molecular Weight
229.050000
Exact Mass
227.969840
SMILES
CC1=C(N2C=C(C=CC2=N1)F)Br
InChI
InChI=1S/C8H6BrFN2/c1-5-8(9)12-4-6(10)2-3-7(12)11-5/h2-4H,1H3
InChIKey
XBMXNCTYBBEBTR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
2
Molar refractivity
47.59
TPSA
17.3
LogP / Solubility
WLOGP
2.54
MLOGP
2.24
XLogP3
3.3
Consensus LogP
2.69
Log S (ESOL)
-3.42
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.28
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.26
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)
-2.31
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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