![CAS 1086064-35-8 5-BroMo-3-Methyl-1H-pyrazolo[3,4-b]pyrazine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1086064-35-8.gif)
CAS RN: 1086064-35-8
5-BroMo-3-Methyl-1H-pyrazolo[3,4-b]pyrazine
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251111 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-009853
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
- 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
1086064-35-8 / 5-bromo-3-methyl-2H-pyrazolo[3,4-b]pyrazine
5-BROMO-3-METHYL-1H-PYRAZOLO[3,4-B]PYRAZINE | 5-bromo-3-methyl-2H-pyrazolo[3,4-b]pyrazine | 5-BROMO-3-METHYL-1H-PYRAZOLO[4,3-B]PYRAZINE
Basic Information
CAS
1086064-35-8
Multi CAS
No
Molecular Formula
C6H5BrN4
Molecular Weight
213.030000
Exact Mass
211.969760
SMILES
CC1=C2C(=NN1)N=CC(=N2)Br
InChI
InChI=1S/C6H5BrN4/c1-3-5-6(11-10-3)8-2-4(7)9-5/h2H,1H3,(H,8,10,11)
InChIKey
SQSUPLOCAWOOSN-UHFFFAOYSA-N
Synonyms
5-BROMO-3-METHYL-1H-PYRAZOLO[3,4-B]PYRAZINE
5-bromo-3-methyl-2H-pyrazolo[3,4-b]pyrazine
5-BROMO-3-METHYL-1H-PYRAZOLO[4,3-B]PYRAZINE
MFCD13193463
SCHEMBL3954043
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.17
H-bond acceptors
3
H-bond donors
1
Molar refractivity
44.12
TPSA
54.46
LogP / Solubility
WLOGP
1.42
MLOGP
1.25
XLogP3
1.3
Consensus LogP
1.32
Log S (ESOL)
-2.66
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.33
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.23
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)
-3.01
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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