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CAS 1384427-76-2 2-Oxa-7-azaspiro[4.4]nonan-8-one molecular structure lightbox
CAS RN: 1384427-76-2

2-Oxa-7-azaspiro[4.4]nonan-8-one

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250131 10mg / 50mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS1384427-76-2
  • Purity/Analytical Methods: >99.0%
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1384427-76-2 / 2-oxa-7-azaspiro[4.4]nonan-8-one

Standard CAS: 1384427-76-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1384427-76-2
Multi CAS
No
Molecular Formula
C7H11NO2
Molecular Weight
141.170000
Exact Mass
141.078979
SMILES
C1COCC12CC(=O)NC2
InChI
InChI=1S/C7H11NO2/c9-6-3-7(4-8-6)1-2-10-5-7/h1-5H2,(H,8,9)
InChIKey
WSEWYUJJLXPJPW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.86
H-bond acceptors
2
H-bond donors
1
Molar refractivity
35.5
TPSA
38.33

LogP / Solubility

WLOGP
-0.09
MLOGP
-0.08
XLogP3
-0.7
Consensus LogP
-0.29
Log S (ESOL)
-0.66
Class (ESOL)
Very soluble
Log S (Ali)
-0.65
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.51
Class (SILICOS-IT)
Very 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)
-3.64

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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