![CAS 203662-67-3 7-azaspiro[3.5]nonane-2-carbonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/203662-67-3.gif)
CAS RN: 203662-67-3
7-azaspiro[3.5]nonane-2-carbonitrile
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.20250904 | 100mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS203662-67-3
- Purity/Analytical Methods: >99.0%
203662-67-3 / 7-azaspiro[3.5]nonane-2-carbonitrile
Basic Information
CAS
203662-67-3
Multi CAS
No
Molecular Formula
C9H14N2
Molecular Weight
150.220000
Exact Mass
150.115698
SMILES
C1CNCCC12CC(C2)C#N
InChI
InChI=1S/C9H14N2/c10-7-8-5-9(6-8)1-3-11-4-2-9/h8,11H,1-6H2
InChIKey
OUXRPSUPWKNBLL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.89
H-bond acceptors
2
H-bond donors
1
Molar refractivity
42.87
TPSA
35.82
LogP / Solubility
WLOGP
1.29
MLOGP
1.13
XLogP3
0.6
Consensus LogP
1.01
Log S (ESOL)
-1.58
Class (ESOL)
Soluble
Log S (Ali)
-1.72
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.71
Class (SILICOS-IT)
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)
-2.72
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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