CAS RN: 929094-25-7
1-Isobutyl-1H-pyrazole-4-boronic acid
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-206831
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
- Available purity: ＞97%
- 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 |
|---|---|---|---|---|
| 5g | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
929094-25-7 / [1-(2-methylpropyl)pyrazol-4-yl]boronic acid
Basic Information
CAS
929094-25-7
Multi CAS
No
Molecular Formula
BC7H13N2O2
Molecular Weight
168.000000
Exact Mass
168.107008
InChI
InChI=1S/C7H13BN2O2/c1-6(2)4-10-5-7(3-9-10)8(11)12/h3,5-6,11-12H,4H2,1-2H3
InChIKey
ZNPDFJXJVSSPFF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.57
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
46.89
TPSA
58.28
LogP / Solubility
WLOGP
-0.78
MLOGP
-0.69
XLogP3
-0.78
Consensus LogP
-0.75
Log S (ESOL)
-0.5
Class (ESOL)
Very soluble
Log S (Ali)
-0.37
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.46
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-4.3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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