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CAS 176-69-2 2-Oxa-8-azaspiro[4.5]decane molecular structure lightbox
CAS RN: 176-69-2

2-Oxa-8-azaspiro[4.5]decane

  • Product code: SSC-077154
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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 176-69-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

176-69-2 / 2-oxa-8-azaspiro[4.5]decane

Standard CAS: 176-69-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
176-69-2
Multi CAS
No
Molecular Formula
C8H15NO
Molecular Weight
141.210000
Exact Mass
141.115364
SMILES
C1CNCCC12CCOC2
InChI
InChI=1S/C8H15NO/c1-4-9-5-2-8(1)3-6-10-7-8/h9H,1-7H2
InChIKey
OXXXNXISRXFPBK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
39.97
TPSA
21.26

LogP / Solubility

WLOGP
0.78
MLOGP
0.68
XLogP3
0.4
Consensus LogP
0.62
Log S (ESOL)
-1.2
Class (ESOL)
Soluble
Log S (Ali)
-1.28
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.22
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)
-3.03

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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