CAS RN: 42940-56-7
7,9-DIOXO-8-AZASPIRO(4.5)DECANE-6,10-DICARBONITRILE, 98%, MIXT. (+/-)/MESO
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.20260310 | 500mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS42940-56-7
- Purity/Analytical Methods: >99.0%
42940-56-7 / 7,9-dioxo-8-azaspiro[4.5]decane-6,10-dicarbonitrile
Basic Information
CAS
42940-56-7
Multi CAS
Yes
Molecular Formula
C11H11N3O2
Molecular Weight
217.220000
Exact Mass
217.085127
InChI
InChI=1S/C11H11N3O2/c12-5-7-9(15)14-10(16)8(6-13)11(7)3-1-2-4-11/h7-8H,1-4H2,(H,14,15,16)
InChIKey
USIMPDHJLHKMKA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.64
H-bond acceptors
4
H-bond donors
1
Molar refractivity
52.26
TPSA
93.75
LogP / Solubility
WLOGP
0.48
MLOGP
0.43
XLogP3
1
Consensus LogP
0.64
Log S (ESOL)
-1.49
Class (ESOL)
Soluble
Log S (Ali)
-1.69
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.47
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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