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CAS 3390-12-3 2,4-DIMETHYL, 1,3-DIOXALONE molecular structure lightbox
CAS RN: 3390-12-3

2,4-DIMETHYL, 1,3-DIOXALONE

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Choose a grade to view its available package options.

6 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250422 100g In stock Shanghai, Shenzhen Inquiry
Batchno.20260612 1kg Out of stock Inquiry
Batchno.20250623 25g In stock Shanghai Inquiry
Batchno.20250428 500g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251209 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong, Guangdong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260103 25g In stock Shanghai Inquiry
  • Product code: starshine_CAS3390-12-3
  • Purity/Analytical Methods: >99.0%
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3390-12-3 / 2,4-dimethyl-1,3-dioxolane

Standard CAS: 3390-12-3 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
3390-12-3
Multi CAS
No
Molecular Formula
C5H10O2
Molecular Weight
102.130000
Exact Mass
102.068080
InChI
InChI=1S/C5H10O2/c1-4-3-6-5(2)7-4/h4-5H,3H2,1-2H3
InChIKey
ROSFUFIOLRQOON-UHFFFAOYSA-N

Physical Properties

Density
0.921-0.928
Physical Description
Colourless liquid; Dairy aroma with fruity overtones
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
1
H-bond acceptors
2
Molar refractivity
25.96
TPSA
18.46

LogP / Solubility

WLOGP
0.77
MLOGP
0.66
XLogP3
0.7
Consensus LogP
0.71
Log S (ESOL)
-0.96
Class (ESOL)
Very soluble
Log S (Ali)
-0.95
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.96
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)
-2.8

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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