CAS RN: 839714-33-9
1-Isopropylpyrazole-5-boronic Acid
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.20260307 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS839714-33-9
- Purity/Analytical Methods: >99.0%
839714-33-9 / (2-propan-2-ylpyrazol-3-yl)boronic acid
Basic Information
CAS
839714-33-9
Multi CAS
Yes
Molecular Formula
BC6H11N2O2
Molecular Weight
153.980000
Exact Mass
154.091358
InChI
InChI=1S/C6H11BN2O2/c1-5(2)9-6(7(10)11)3-4-8-9/h3-5,10-11H,1-2H3
InChIKey
RWQOGZHKBNANKP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
42.44
TPSA
58.28
LogP / Solubility
WLOGP
-0.86
MLOGP
-0.76
XLogP3
-0.86
Consensus LogP
-0.83
Log S (ESOL)
-0.46
Class (ESOL)
Very soluble
Log S (Ali)
-0.2
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.19
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)
-4.27
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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