![CAS 22122-96-9 2”,3”A,4”,5”,6”,7”-HEXAHYDRO-SPIRO[CYCLOHEXANE-1,3”-INDAZOLE] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/22122-96-9.gif)
CAS RN: 22122-96-9
2”,3”A,4”,5”,6”,7”-HEXAHYDRO-SPIRO[CYCLOHEXANE-1,3”-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.20250409 | 50mg / 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS22122-96-9
- Purity/Analytical Methods: >99.0%
22122-96-9 / spiro[2,3a,4,5,6,7-hexahydroindazole-3,1'-cyclohexane]
Basic Information
CAS
22122-96-9
Multi CAS
No
Molecular Formula
C12H20N2
Molecular Weight
192.300000
Exact Mass
192.162649
SMILES
C1CCC2(CC1)C3CCCCC3=NN2
InChI
InChI=1S/C12H20N2/c1-4-8-12(9-5-1)10-6-2-3-7-11(10)13-14-12/h10,14H,1-9H2
InChIKey
PFVWRDDUHXEPTM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.92
H-bond acceptors
2
H-bond donors
1
Molar refractivity
58.34
TPSA
24.39
LogP / Solubility
WLOGP
2.84
MLOGP
2.5
XLogP3
2.8
Consensus LogP
2.71
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.19
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.27
Class (SILICOS-IT)
Poorly 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)
-1.88
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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