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CAS 455264-97-8 Spiro[3.5]nonane-1,3-dione molecular structure lightbox
CAS RN: 455264-97-8

Spiro[3.5]nonane-1,3-dione

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3 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250912 100mg Out of stock Inquiry
Batchno.20260523 1g Out of stock Inquiry
Batchno.20251215 250mg Out of stock Inquiry
  • Product code: starshine_CAS455264-97-8
  • Purity/Analytical Methods: >99.0%
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455264-97-8 / spiro[3.5]nonane-1,3-dione

Standard CAS: 455264-97-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
455264-97-8
Multi CAS
Yes
Molecular Formula
C9H12O2
Molecular Weight
152.190000
Exact Mass
152.083730
InChI
InChI=1S/C9H12O2/c10-7-6-8(11)9(7)4-2-1-3-5-9/h1-6H2
InChIKey
OEMGLLFSPJRDNX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.78
H-bond acceptors
2
Molar refractivity
40.15
TPSA
34.14

LogP / Solubility

WLOGP
1.48
MLOGP
1.3
XLogP3
1.9
Consensus LogP
1.56
Log S (ESOL)
-1.72
Class (ESOL)
Soluble
Log S (Ali)
-1.88
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.88
Class (SILICOS-IT)
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)
-2.6

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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