CAS RN: 2096334-81-3
1-(tetrahydro-2H-pyran-2-yl)-5-methyl-1H-indazol-6-yl-6-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.20250330 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2096334-81-3
- Purity/Analytical Methods: >99.0%
2096334-81-3 / [5-methyl-1-(oxan-2-yl)indazol-6-yl]boronic acid
Basic Information
CAS
2096334-81-3
Multi CAS
No
Molecular Formula
C13H17BN2O3
Molecular Weight
260.100000
Exact Mass
260.133223
SMILES
B(C1=CC2=C(C=C1C)C=NN2C3CCCCO3)(O)O
InChI
InChI=1S/C13H17BN2O3/c1-9-6-10-8-15-16(13-4-2-3-5-19-13)12(10)7-11(9)14(17)18/h6-8,13,17-18H,2-5H2,1H3
InChIKey
GUXWKNKXTGTVGQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
9
Fraction Csp3
0.46
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
2
Molar refractivity
73.14
TPSA
67.51
LogP / Solubility
WLOGP
0.72
MLOGP
0.64
XLogP3
0.72
Consensus LogP
0.69
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.22
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.19
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)
-3.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2
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