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CAS RN: 1414958-47-6
3-Bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrobromide
Product Availability
Choose a grade to view its available package options.
5 package records1 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251203 | 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1414958-47-6
- Purity/Analytical Methods: >99.0%
1414958-47-6 / 3-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrobromide
Basic Information
CAS
1414958-47-6
Multi CAS
No
Molecular Formula
C5H8Br2N4
Molecular Weight
283.950000
Exact Mass
283.909520
SMILES
C1CN2C(=NN=C2Br)CN1.Br
InChI
InChI=1S/C5H7BrN4.BrH/c6-5-9-8-4-3-7-1-2-10(4)5;/h7H,1-3H2;1H
InChIKey
AGWDSWQPNFCBGG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.6
H-bond acceptors
4
H-bond donors
1
Molar refractivity
49.75
TPSA
42.74
LogP / Solubility
WLOGP
0.72
MLOGP
0.65
XLogP3
0.72
Consensus LogP
0.7
Log S (ESOL)
-2.39
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.41
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.1
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)
-3.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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