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CAS 84243-25-4 1-oxa-4,9-diazaspiro[5.5]undecan-3-one molecular structure lightbox
CAS RN: 84243-25-4

1-oxa-4,9-diazaspiro[5.5]undecan-3-one

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4 package records0 with current stock1 grade group
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Batchno.20251210 100mg Out of stock Inquiry
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  • Product code: starshine_CAS84243-25-4
  • Purity/Analytical Methods: >99.0%
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84243-25-4 / 1-oxa-4,9-diazaspiro[5.5]undecan-3-one

Standard CAS: 84243-25-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
84243-25-4
Multi CAS
No
Molecular Formula
C8H14N2O2
Molecular Weight
170.210000
Exact Mass
170.105528
InChI
InChI=1S/C8H14N2O2/c11-7-5-12-8(6-10-7)1-3-9-4-2-8/h9H,1-6H2,(H,10,11)
InChIKey
UZILMRSSGKFWTO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.88
H-bond acceptors
3
H-bond donors
2
Molar refractivity
43.8
TPSA
50.36

LogP / Solubility

WLOGP
-0.74
MLOGP
-0.66
XLogP3
-0.9
Consensus LogP
-0.77
Log S (ESOL)
-0.43
Class (ESOL)
Very soluble
Log S (Ali)
-0.42
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.15
Class (SILICOS-IT)
Very 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)
-4.29

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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