![CAS 1936225-21-6 3-bromo-6-chloro-1H-pyrazolo[3,4-b]pyrazine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1936225-21-6.gif)
CAS RN: 1936225-21-6
3-bromo-6-chloro-1H-pyrazolo[3,4-b]pyrazine
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.20251129 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1936225-21-6
- Purity/Analytical Methods: >99.0%
1936225-21-6 / 3-bromo-6-chloro-2H-pyrazolo[3,4-b]pyrazine
Basic Information
CAS
1936225-21-6
Multi CAS
No
Molecular Formula
C5H2BrClN4
Molecular Weight
233.450000
Exact Mass
231.915140
SMILES
C1=NC2=C(NN=C2N=C1Cl)Br
InChI
InChI=1S/C5H2BrClN4/c6-4-3-5(11-10-4)9-2(7)1-8-3/h1H,(H,9,10,11)
InChIKey
AOMMRMHDIAXYNB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
3
H-bond donors
1
Molar refractivity
44.39
TPSA
54.46
LogP / Solubility
WLOGP
1.77
MLOGP
1.56
XLogP3
1.8
Consensus LogP
1.71
Log S (ESOL)
-3.01
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.75
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.65
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.89
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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