CAS RN: 165813-66-1
6-ACETHYOXY-8-METHYL-8-AZABICYCLO(3.2.1)OCTAN-3-ONE
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.20260318 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS165813-66-1
- Purity/Analytical Methods: >99.0%
165813-66-1 / (8-methyl-3-oxo-8-azabicyclo[3.2.1]octan-6-yl) acetate
Basic Information
CAS
165813-66-1
Multi CAS
No
Molecular Formula
C10H15NO3
Molecular Weight
197.230000
Exact Mass
197.105193
SMILES
CC(=O)OC1CC2CC(=O)CC1N2C
InChI
InChI=1S/C10H15NO3/c1-6(12)14-10-4-7-3-8(13)5-9(10)11(7)2/h7,9-10H,3-5H2,1-2H3
InChIKey
KGAJUIASUVGIAG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
49.75
TPSA
46.61
LogP / Solubility
WLOGP
0.35
MLOGP
0.31
XLogP3
-0.1
Consensus LogP
0.19
Log S (ESOL)
-1.22
Class (ESOL)
Soluble
Log S (Ali)
-1.43
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.36
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)
-3.67
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5
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