CAS RN: 896662-47-8
AKOS BBS-00006011
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.20251012 | 500mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS896662-47-8
- Purity/Analytical Methods: >99.0%
896662-47-8 / 9,9-dimethylspiro[1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-11,1'-cyclohexane]-2,3-dione
Basic Information
CAS
896662-47-8
Multi CAS
No
Molecular Formula
C18H21NO2
Molecular Weight
283.400000
Exact Mass
283.157229
InChI
InChI=1S/C18H21NO2/c1-17(2)11-18(9-4-3-5-10-18)19-14-12(15(20)16(19)21)7-6-8-13(14)17/h6-8H,3-5,9-11H2,1-2H3
InChIKey
LEMGYINNJQUDLN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.56
H-bond acceptors
2
Molar refractivity
81.72
TPSA
37.38
LogP / Solubility
WLOGP
3.6
MLOGP
3.18
XLogP3
3.8
Consensus LogP
3.53
Log S (ESOL)
-4.08
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.48
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.49
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.89
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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