CAS RN: 1446355-49-2

5-Oxa-2,7-diazaspiro[3.4]octan-6-one

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Batchno.20260610 100mg In stock Shanghai Inquiry
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  • Product code: starshine_CAS1446355-49-2
  • Purity/Analytical Methods: >99.0%
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1446355-49-2 / 5-oxa-2,7-diazaspiro[3.4]octan-6-one

Standard CAS: 1446355-49-2 Multi CAS: No

Basic Information

CAS
1446355-49-2
Multi CAS
No
Molecular Formula
C5H8N2O2
Molecular Weight
128.130000
Exact Mass
128.058578
SMILES
C1C2(CN1)CNC(=O)O2
InChI
InChI=1S/C5H8N2O2/c8-4-7-3-5(9-4)1-6-2-5/h6H,1-3H2,(H,7,8)
InChIKey
JOSUSMBJSISVHN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.8
H-bond acceptors
3
H-bond donors
2
Molar refractivity
30.08
TPSA
50.36

LogP / Solubility

WLOGP
-0.93
MLOGP
-0.83
XLogP3
-1.1
Consensus LogP
-0.95
Log S (ESOL)
-0.05
Class (ESOL)
Very soluble
Log S (Ali)
0.06
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.28
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
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)
-4.16

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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