![CAS 1233690-80-6 3-Iodo-6-trifluoroMethyl-iMidazo[1,2-a]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1233690-80-6.gif)
CAS RN: 1233690-80-6
3-Iodo-6-trifluoroMethyl-iMidazo[1,2-a]pyridine
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260315 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-027067
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Hong Kong | Inquiry |
1233690-80-6 / 3-iodo-6-(trifluoromethyl)imidazo[1,2-a]pyridine
Basic Information
CAS
1233690-80-6
Multi CAS
No
Molecular Formula
C8H4F3IN2
Molecular Weight
312.030000
Exact Mass
311.937130
SMILES
C1=CC2=NC=C(N2C=C1C(F)(F)F)I
InChI
InChI=1S/C8H4F3IN2/c9-8(10,11)5-1-2-7-13-3-6(12)14(7)4-5/h1-4H
InChIKey
YPZNIUMZMYZFLU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
2
Molar refractivity
52.91
TPSA
17.3
LogP / Solubility
WLOGP
2.96
MLOGP
2.62
XLogP3
3.3
Consensus LogP
2.96
Log S (ESOL)
-4.11
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.25
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.14
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.52
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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