CAS RN: 762240-92-6
3-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine Hydrochloride
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Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 5g, 10g, 25g, 100g
- Available purity: >95%
- Inventory rows with stock: 5
- Bulk packaging: confirmed by inquiry
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Recorded sizes, purity and stock details for CAS 762240-92-6
| Pack Size |
Recorded Purity |
Available Qty |
Ship From |
Inquiry |
| 1g |
>95% |
5
In Stock
|
Hong Kong |
Inquiry |
| 5g |
>95% |
5
In Stock
|
Beijing |
Inquiry |
| 10g |
>95% |
5
In Stock
|
Hong Kong |
Inquiry |
| 25g |
>95% |
5
In Stock
|
Shanghai |
Inquiry |
| 100g |
>95% |
5
In Stock
|
Beijing |
Inquiry |
762240-92-6 / 3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride
Standard CAS: 762240-92-6
Multi CAS: Yes
Basic Information
CAS
762240-92-6
Multi CAS
Yes
Molecular Formula
C6H8CLF3N4
Molecular Weight
228.600000
Exact Mass
228.038959
InChI
InChI=1S/C6H7F3N4.ClH/c7-6(8,9)5-12-11-4-3-10-1-2-13(4)5;/h10H,1-3H2;1H
InChIKey
AQCSCRYRCRORET-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.67
H-bond acceptors
4
H-bond donors
1
Molar refractivity
43.98
TPSA
42.74
LogP / Solubility
WLOGP
0.82
MLOGP
0.73
XLogP3
0.82
Consensus LogP
0.79
Log S (ESOL)
-2.04
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.03
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.83
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)
-3.53
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5