CAS RN: 1650548-68-7
3-Cyclopropyl-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole
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.20250914 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1650548-68-7
- Purity/Analytical Methods: >99.0%
1650548-68-7 / 3-cyclopropyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole
Basic Information
CAS
1650548-68-7
Multi CAS
No
Molecular Formula
C16H21BN2O2
Molecular Weight
284.200000
Exact Mass
284.169608
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=NNC(=C3C=C2)C4CC4
InChI
InChI=1S/C16H21BN2O2/c1-15(2)16(3,4)21-17(20-15)11-7-8-12-13(9-11)18-19-14(12)10-5-6-10/h7-10H,5-6H2,1-4H3,(H,18,19)
InChIKey
WJYQDWFSYYQFPF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
9
Fraction Csp3
0.56
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
83.78
TPSA
47.14
LogP / Solubility
WLOGP
2.74
MLOGP
2.42
XLogP3
2.74
Consensus LogP
2.63
Log S (ESOL)
-3.51
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.87
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.02
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3
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