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CAS 5394-63-8 2,2,6-Trimethyl-1,3-dioxin-4-one molecular structure lightbox
CAS RN: 5394-63-8

2,2,6-Trimethyl-1,3-dioxin-4-one

  • Product code: SSC-161363
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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: 25g, 100g, 500g, 1000g
  • 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 5394-63-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 5 In Stock Hong Kong Inquiry
100g ≥95% 5 In Stock Shanghai Inquiry
500g ≥95% 1 In Stock Shenzhen Inquiry
1000g ≥95% 0 Out of Stock Beijing Inquiry

5394-63-8 / 2,2,6-trimethyl-1,3-dioxin-4-one

Standard CAS: 5394-63-8 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
5394-63-8
Multi CAS
Yes
Molecular Formula
C7H10O3
Molecular Weight
142.150000
Exact Mass
142.062994
InChI
InChI=1S/C7H10O3/c1-5-4-6(8)10-7(2,3)9-5/h4H,1-3H3
InChIKey
XFRBXZCBOYNMJP-UHFFFAOYSA-N

Physical Properties

Physical Description
Clear dark brown liquid; mp = 12-13 deg C
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.57
H-bond acceptors
3
Molar refractivity
35.01
TPSA
35.53

LogP / Solubility

WLOGP
1.2
MLOGP
1.05
XLogP3
1.2
Consensus LogP
1.15
Log S (ESOL)
-1.48
Class (ESOL)
Soluble
Log S (Ali)
-1.59
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.58
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)
-2.74

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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