![CAS 2059994-83-9 3-bromo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2059994-83-9.png)
CAS RN: 2059994-83-9
3-bromo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine 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.20251202 | 1g / 5g / 10g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-097059
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g, 5g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
2059994-83-9 / 3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride
Basic Information
CAS
2059994-83-9
Multi CAS
No
Molecular Formula
C6H9BrClN3
Molecular Weight
238.510000
Exact Mass
236.966840
SMILES
C1CN2C(=C(C=N2)Br)CN1.Cl
InChI
InChI=1S/C6H8BrN3.ClH/c7-5-3-9-10-2-1-8-4-6(5)10;/h3,8H,1-2,4H2;1H
InChIKey
UXKYSFYWTIZFBR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
48.88
TPSA
29.85
LogP / Solubility
WLOGP
1.17
MLOGP
1.03
XLogP3
1.17
Consensus LogP
1.12
Log S (ESOL)
-2.39
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.36
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.18
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)
-3.34
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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