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CAS 313975-41-6 4-methyl-1-Oxa-4,9-diazaspiro[5.5]undecane molecular structure lightbox
CAS RN: 313975-41-6

4-methyl-1-Oxa-4,9-diazaspiro[5.5]undecane

  • Product code: SSC-136757
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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 313975-41-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

313975-41-6 / 4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane

Standard CAS: 313975-41-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
313975-41-6
Multi CAS
No
Molecular Formula
C9H18N2O
Molecular Weight
170.250000
Exact Mass
170.141913
InChI
InChI=1S/C9H18N2O/c1-11-6-7-12-9(8-11)2-4-10-5-3-9/h10H,2-8H2,1H3
InChIKey
MZNCLIDEUSKTII-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
48.28
TPSA
24.5

LogP / Solubility

WLOGP
0.07
MLOGP
0.06
XLogP3
-0.2
Consensus LogP
-0.02
Log S (ESOL)
-0.94
Class (ESOL)
Very soluble
Log S (Ali)
-1.01
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.83
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)
-3.71

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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