CAS RN: 733757-88-5
3-TRIFLUOROMETHYL-4,5,6,7-TETRAHYDRO-4-AZAINDAZOLE HYDROCHLORIDE
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.20250528 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS733757-88-5
- Purity/Analytical Methods: >99.0%
733757-88-5 / 3-(trifluoromethyl)-4,5,6,7-tetrahydro-3H-pyrazolo[3,4-c]pyridine;hydrochloride
Basic Information
CAS
733757-88-5
Multi CAS
Yes
Molecular Formula
C7H9CLF3N3
Molecular Weight
227.610000
Exact Mass
227.043710
InChI
InChI=1S/C7H8F3N3.ClH/c8-7(9,10)6-4-1-2-11-3-5(4)12-13-6;/h6,11H,1-3H2;1H
InChIKey
PVXFYHHZCFRDGY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.71
H-bond acceptors
3
H-bond donors
1
Molar refractivity
46.46
TPSA
36.75
LogP / Solubility
WLOGP
2.05
MLOGP
1.81
XLogP3
2.05
Consensus LogP
1.97
Log S (ESOL)
-2.54
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.91
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.84
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)
-2.65
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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