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CAS 1394306-58-1 5-Oxa-7-azaspiro[2.5]octan-6-one molecular structure lightbox
CAS RN: 1394306-58-1

5-Oxa-7-azaspiro[2.5]octan-6-one

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260323 1g / 5g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1394306-58-1
  • Purity/Analytical Methods: >99.0%
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1394306-58-1 / 5-oxa-7-azaspiro[2.5]octan-6-one

Standard CAS: 1394306-58-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1394306-58-1
Multi CAS
No
Molecular Formula
C6H9NO2
Molecular Weight
127.140000
Exact Mass
127.063329
SMILES
C1CC12CNC(=O)OC2
InChI
InChI=1S/C6H9NO2/c8-5-7-3-6(1-2-6)4-9-5/h1-4H2,(H,7,8)
InChIKey
UPVFDPNFRVTONW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.83
H-bond acceptors
2
H-bond donors
1
Molar refractivity
31.02
TPSA
38.33

LogP / Solubility

WLOGP
0.51
MLOGP
0.44
XLogP3
0.3
Consensus LogP
0.42
Log S (ESOL)
-0.95
Class (ESOL)
Very soluble
Log S (Ali)
-0.97
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.91
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)
-3.14

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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