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CAS 845267-72-3 5-azaspiro[2.5]octane-6,8-dione molecular structure lightbox
CAS RN: 845267-72-3

5-azaspiro[2.5]octane-6,8-dione

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250822 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS845267-72-3
  • Purity/Analytical Methods: >99.0%
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845267-72-3 / 5-azaspiro[2.5]octane-6,8-dione

Standard CAS: 845267-72-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
845267-72-3
Multi CAS
No
Molecular Formula
C7H9NO2
Molecular Weight
139.150000
Exact Mass
139.063329
InChI
InChI=1S/C7H9NO2/c9-5-3-6(10)8-4-7(5)1-2-7/h1-4H2,(H,8,10)
InChIKey
PUAHCMPDFPUHSN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.71
H-bond acceptors
2
H-bond donors
1
Molar refractivity
34.3
TPSA
46.17

LogP / Solubility

WLOGP
-0.14
MLOGP
-0.13
XLogP3
-0.5
Consensus LogP
-0.26
Log S (ESOL)
-0.61
Class (ESOL)
Very soluble
Log S (Ali)
-0.6
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.44
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)
-3.67

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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