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CAS 6813-54-3 1,4-DIOXA-8-AZASPIRO[4.5]DECAN-7-ONE molecular structure lightbox
CAS RN: 6813-54-3

1,4-DIOXA-8-AZASPIRO[4.5]DECAN-7-ONE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251021 50mg / 100mg / 250mg / 500mg / 1g Out of stock 15 business days Inquiry
  • Product code: SSC-177861
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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 6813-54-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

6813-54-3 / 1,4-dioxa-8-azaspiro[4.5]decan-7-one

Standard CAS: 6813-54-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
6813-54-3
Multi CAS
No
Molecular Formula
C7H11NO3
Molecular Weight
157.170000
Exact Mass
157.073893
InChI
InChI=1S/C7H11NO3/c9-6-5-7(1-2-8-6)10-3-4-11-7/h1-5H2,(H,8,9)
InChIKey
IMAKOYSQAGRALB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.86
H-bond acceptors
3
H-bond donors
1
Molar refractivity
36.88
TPSA
47.56

LogP / Solubility

WLOGP
-0.36
MLOGP
-0.32
XLogP3
-0.9
Consensus LogP
-0.53
Log S (ESOL)
-0.59
Class (ESOL)
Very soluble
Log S (Ali)
-0.59
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.38
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)
-3.93

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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