CAS RN: 70951-85-8
4-Bromo-1-(tert-butyl)-1H-pyrazole
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.20250201 | 5g / 10g / 25g / 100g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-180637
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: 5g, 10g
- 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.
70951-85-8 / 4-bromo-1-tert-butylpyrazole
Basic Information
CAS
70951-85-8
Multi CAS
No
Molecular Formula
BC7H11Rn2
Molecular Weight
203.080000
Exact Mass
202.010560
InChI
InChI=1S/C7H11BrN2/c1-7(2,3)10-5-6(8)4-9-10/h4-5H,1-3H3
InChIKey
KLLXOOSSATXFFY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.57
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
44.92
TPSA
17.82
LogP / Solubility
WLOGP
2.4
MLOGP
2.11
XLogP3
1.8
Consensus LogP
2.1
Log S (ESOL)
-2.98
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.96
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.97
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)
-2.25
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
