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CAS 1567085-15-7 1,6-diazaspiro[3.5]nonan-2-one molecular structure lightbox
CAS RN: 1567085-15-7

1,6-diazaspiro[3.5]nonan-2-one

  • Product code: SSC-065847
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1567085-15-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1567085-15-7 / 1,8-diazaspiro[3.5]nonan-2-one

Standard CAS: 1567085-15-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1567085-15-7
Multi CAS
No
Molecular Formula
C7H12N2O
Molecular Weight
140.180000
Exact Mass
140.094963
SMILES
C1CC2(CC(=O)N2)CNC1
InChI
InChI=1S/C7H12N2O/c10-6-4-7(9-6)2-1-3-8-5-7/h8H,1-5H2,(H,9,10)
InChIKey
UWHZBGWQPZJOSL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.86
H-bond acceptors
2
H-bond donors
2
Molar refractivity
37.59
TPSA
41.13

LogP / Solubility

WLOGP
-0.37
MLOGP
-0.33
XLogP3
-0.8
Consensus LogP
-0.5
Log S (ESOL)
-0.48
Class (ESOL)
Very soluble
Log S (Ali)
-0.44
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.26
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)
-3.84

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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