![CAS 40851-96-5 5-chloro-2-(trifluoromethyl)-3H-imidazo[4,5-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/40851-96-5.gif)
CAS RN: 40851-96-5
5-chloro-2-(trifluoromethyl)-3H-imidazo[4,5-b]pyridine
- Product code: SSC-149233
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 |
40851-96-5 / 5-chloro-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine
Basic Information
CAS
40851-96-5
Multi CAS
No
Molecular Formula
C7H3CLF3N3
Molecular Weight
221.570000
Exact Mass
220.996759
InChI
InChI=1S/C7H3ClF3N3/c8-4-2-1-3-5(13-4)14-6(12-3)7(9,10)11/h1-2H,(H,12,13,14)
InChIKey
JIFFIOLNCXHOHH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.14
H-bond acceptors
2
H-bond donors
1
Molar refractivity
43.9
TPSA
41.57
LogP / Solubility
WLOGP
2.63
MLOGP
2.32
XLogP3
2.3
Consensus LogP
2.42
Log S (ESOL)
-3.35
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.28
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.28
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)
-2.2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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