CAS RN: 916890-60-3
1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazol-3-ylboronic 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.20260607 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS916890-60-3
- Purity/Analytical Methods: >99.0%
916890-60-3 / [1-(oxan-2-yl)pyrazol-3-yl]boronic acid
Basic Information
CAS
916890-60-3
Multi CAS
No
Molecular Formula
BC8H13N2O3
Molecular Weight
196.010000
Exact Mass
196.101922
InChI
InChI=1S/C8H13BN2O3/c12-9(13)7-4-5-11(10-7)8-3-1-2-6-14-8/h4-5,8,12-13H,1-3,6H2
InChIKey
SNNIMJJQYZQRCA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.62
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
2
Molar refractivity
50.89
TPSA
67.51
LogP / Solubility
WLOGP
-0.74
MLOGP
-0.65
XLogP3
-0.74
Consensus LogP
-0.71
Log S (ESOL)
-0.72
Class (ESOL)
Very soluble
Log S (Ali)
-0.63
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.56
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)
-4.44
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
2
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