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CAS 39974-68-0 3,8-dioxa-1-azaspiro[4.5]decane-2,4-dione molecular structure lightbox
CAS RN: 39974-68-0

3,8-dioxa-1-azaspiro[4.5]decane-2,4-dione

  • Product code: SSC-147809
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 39974-68-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Hong Kong Inquiry
0.25g >95% 1 In Stock Beijing Inquiry
1g >95% 1 In Stock Beijing Inquiry
5g >95% 0 Out of Stock Hong Kong Inquiry

39974-68-0 / 3,8-dioxa-1-azaspiro[4.5]decane-2,4-dione

Standard CAS: 39974-68-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
39974-68-0
Multi CAS
No
Molecular Formula
C7H9NO4
Molecular Weight
171.150000
Exact Mass
171.053158
InChI
InChI=1S/C7H9NO4/c9-5-7(8-6(10)12-5)1-3-11-4-2-7/h1-4H2,(H,8,10)
InChIKey
DSFJJABYHBJIMB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.71
H-bond acceptors
4
H-bond donors
1
Molar refractivity
37.41
TPSA
64.63

LogP / Solubility

WLOGP
-0.2
MLOGP
-0.18
XLogP3
-0.3
Consensus LogP
-0.23
Log S (ESOL)
-0.78
Class (ESOL)
Very soluble
Log S (Ali)
-0.82
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.61
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)
-3.9

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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