![CAS 1217862-78-6 2-azaspiro[4.5]decan-3-one, 8-methyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB62486433.gif)
CAS RN: 1217862-78-6
2-azaspiro[4.5]decan-3-one, 8-methyl-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250908 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1217862-78-6
- Purity/Analytical Methods: >99.0%
1217862-78-6 / 8-methyl-2-azaspiro[4.5]decan-3-one
Basic Information
CAS
1217862-78-6
Multi CAS
No
Molecular Formula
C10H17NO
Molecular Weight
167.250000
Exact Mass
167.131014
SMILES
CC1CCC2(CC1)CC(=O)NC2
InChI
InChI=1S/C10H17NO/c1-8-2-4-10(5-3-8)6-9(12)11-7-10/h8H,2-7H2,1H3,(H,11,12)
InChIKey
MTJORIHKWFSACL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.9
H-bond acceptors
1
H-bond donors
1
Molar refractivity
47.69
TPSA
29.1
LogP / Solubility
WLOGP
1.7
MLOGP
1.49
XLogP3
1.7
Consensus LogP
1.63
Log S (ESOL)
-1.95
Class (ESOL)
Soluble
Log S (Ali)
-2.16
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.16
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)
-2.53
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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