CAS RN: 142283-66-7

1-Azaspiro[4.5]decane-2,8-dione, 1-Methyl-

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  • Product code: starshine_CAS142283-66-7
  • Purity/Analytical Methods: >99.0%
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142283-66-7 / 1-methyl-1-azaspiro[4.5]decane-2,8-dione

Standard CAS: 142283-66-7 Multi CAS: No

Basic Information

CAS
142283-66-7
Multi CAS
No
Molecular Formula
C10H15NO2
Molecular Weight
181.230000
Exact Mass
181.110279
SMILES
CN1C(=O)CCC12CCC(=O)CC2
InChI
InChI=1S/C10H15NO2/c1-11-9(13)4-7-10(11)5-2-8(12)3-6-10/h2-7H2,1H3
InChIKey
LGGAZTKFNISBHK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.8
H-bond acceptors
2
Molar refractivity
48.21
TPSA
37.38

LogP / Solubility

WLOGP
1.12
MLOGP
0.98
XLogP3
-0.2
Consensus LogP
0.63
Log S (ESOL)
-1.67
Class (ESOL)
Soluble
Log S (Ali)
-1.86
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.77
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)
-3.03

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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