![CAS 56258-85-6 9-Azabicyclo[3.3.1]nonan-3-one, 9-(1-Methylethyl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/56258-85-6.gif)
CAS RN: 56258-85-6
9-Azabicyclo[3.3.1]nonan-3-one, 9-(1-Methylethyl)-
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.20251211 | 50mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS56258-85-6
- Purity/Analytical Methods: >99.0%
56258-85-6 / 9-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-one
Basic Information
CAS
56258-85-6
Multi CAS
No
Molecular Formula
C11H19NO
Molecular Weight
181.270000
Exact Mass
181.146664
InChI
InChI=1S/C11H19NO/c1-8(2)12-9-4-3-5-10(12)7-11(13)6-9/h8-10H,3-7H2,1-2H3
InChIKey
FYBIFQMGVWTRGD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.91
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
52.64
TPSA
20.31
LogP / Solubility
WLOGP
1.98
MLOGP
1.74
XLogP3
1.5
Consensus LogP
1.74
Log S (ESOL)
-2.15
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.48
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.6
Class (SILICOS-IT)
Moderately 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)
-2.42
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
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