CAS RN: 90196-91-1
2-Cyanoquinuclidine
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.20260312 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS90196-91-1
- Purity/Analytical Methods: >99.0%
90196-91-1 / 1-azabicyclo[2.2.2]octane-2-carbonitrile
Basic Information
CAS
90196-91-1
Multi CAS
Yes
Molecular Formula
C8H12N2
Molecular Weight
136.190000
Exact Mass
136.100048
InChI
InChI=1S/C8H12N2/c9-6-8-5-7-1-3-10(8)4-2-7/h7-8H,1-5H2
InChIKey
NZOYWQFJJHBAAF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.88
H-bond acceptors
2
Molar refractivity
38.32
TPSA
27.03
LogP / Solubility
WLOGP
0.99
MLOGP
0.87
XLogP3
1
Consensus LogP
0.95
Log S (ESOL)
-1.31
Class (ESOL)
Soluble
Log S (Ali)
-1.39
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.37
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)
-2.84
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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