CAS RN: 896662-50-3
AKOS BBS-00006012
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.20250405 | 500mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS896662-50-3
- Purity/Analytical Methods: >99.0%
896662-50-3 / 6,9,9-trimethylspiro[1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-11,1'-cycloheptane]-2,3-dione
Basic Information
CAS
896662-50-3
Multi CAS
No
Molecular Formula
C20H25NO2
Molecular Weight
311.400000
Exact Mass
311.188529
InChI
InChI=1S/C20H25NO2/c1-13-10-14-16-15(11-13)19(2,3)12-20(8-6-4-5-7-9-20)21(16)18(23)17(14)22/h10-11H,4-9,12H2,1-3H3
InChIKey
PDZHFQIYMYHWBH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.6
H-bond acceptors
2
Molar refractivity
91.07
TPSA
37.38
LogP / Solubility
WLOGP
4.3
MLOGP
3.8
XLogP3
4.7
Consensus LogP
4.27
Log S (ESOL)
-4.67
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.22
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.25
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.57
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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