![CAS 1402672-14-3 2-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1402672-14-3.gif)
CAS RN: 1402672-14-3
2-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250524 | 25mg / 50mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1402672-14-3
- Purity/Analytical Methods: >99.0%
1402672-14-3 / 2-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
Basic Information
CAS
1402672-14-3
Multi CAS
No
Molecular Formula
C6H8BrN3
Molecular Weight
202.050000
Exact Mass
200.990160
SMILES
C1CN2C(=CC(=N2)Br)CN1
InChI
InChI=1S/C6H8BrN3/c7-6-3-5-4-8-1-2-10(5)9-6/h3,8H,1-2,4H2
InChIKey
GJGLPTBKEKACKU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
41.63
TPSA
29.85
LogP / Solubility
WLOGP
0.75
MLOGP
0.66
XLogP3
0.4
Consensus LogP
0.6
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-1.76
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.59
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)
-3.42
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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