![CAS 380605-32-3 1-(2,2,2-trifluoroethyl)-1H-imidazo[4,5-c]pyridin-2(3H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/380605-32-3.gif)
CAS RN: 380605-32-3
1-(2,2,2-trifluoroethyl)-1H-imidazo[4,5-c]pyridin-2(3H)-one
- Product code: SSC-145558
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
380605-32-3 / 1-(2,2,2-trifluoroethyl)-3H-imidazo[4,5-c]pyridin-2-one
Basic Information
CAS
380605-32-3
Multi CAS
Yes
Molecular Formula
C8F3H6N3O
Molecular Weight
217.150000
Exact Mass
217.046296
InChI
InChI=1S/C8H6F3N3O/c9-8(10,11)4-14-6-1-2-12-3-5(6)13-7(14)15/h1-3H,4H2,(H,13,15)
InChIKey
HEZMQYREADYWOE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
46.41
TPSA
50.68
LogP / Solubility
WLOGP
1.29
MLOGP
1.13
XLogP3
0.8
Consensus LogP
1.07
Log S (ESOL)
-2.38
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.27
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.26
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.13
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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