![CAS 944580-93-2 2-(3-Bromo-phenyl)-7-trifluoromethyl-imidazo[1,2-a]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/944580-93-2.gif)
CAS RN: 944580-93-2
2-(3-Bromo-phenyl)-7-trifluoromethyl-imidazo[1,2-a]pyridine
- Product code: SSC-209316
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 |
944580-93-2 / 2-(3-bromophenyl)-7-(trifluoromethyl)imidazo[1,2-a]pyridine
Basic Information
CAS
944580-93-2
Multi CAS
No
Molecular Formula
BC14H8N2Rf3
Molecular Weight
341.130000
Exact Mass
339.982300
InChI
InChI=1S/C14H8BrF3N2/c15-11-3-1-2-9(6-11)12-8-20-5-4-10(14(16,17)18)7-13(20)19-12/h1-8H
InChIKey
UTFGZJDBSHJONT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
15
Fraction Csp3
0.07
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
73.33
TPSA
17.3
LogP / Solubility
WLOGP
4.78
MLOGP
4.23
XLogP3
5
Consensus LogP
4.67
Log S (ESOL)
-5.46
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.81
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.97
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
No
Log Kp (skin permeation)
-1.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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