![CAS 733758-20-8 2-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/733758-20-8.gif)
CAS RN: 733758-20-8
2-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250506 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS733758-20-8
- Purity/Analytical Methods: >99.0%
733758-20-8 / 2-(trifluoromethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
Basic Information
CAS
733758-20-8
Multi CAS
No
Molecular Formula
C7F3H8N3
Molecular Weight
191.150000
Exact Mass
191.067032
InChI
InChI=1S/C7H8F3N3/c8-7(9,10)6-12-4-1-2-11-3-5(4)13-6/h11H,1-3H2,(H,12,13)
InChIKey
GWCRRTXMLXAEDC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.57
H-bond acceptors
2
H-bond donors
2
Molar refractivity
39
TPSA
40.71
LogP / Solubility
WLOGP
1.07
MLOGP
0.94
XLogP3
0.5
Consensus LogP
0.84
Log S (ESOL)
-1.99
Class (ESOL)
Soluble
Log S (Ali)
-1.9
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.79
Class (SILICOS-IT)
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)
-3.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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