CAS RN: 4525-33-1
Dimethyl dicarbonate
Product Availability
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3 package records2 with current stock1 grade group
- Product code: starshine_CAS4525-33-1
- Purity/Analytical Methods: >99.0%
4525-33-1 / methoxycarbonyl methyl carbonate
Basic Information
CAS
4525-33-1
Multi CAS
Yes
Molecular Formula
C4H6O5
Molecular Weight
134.090000
Exact Mass
134.021523
InChI
InChI=1S/C4H6O5/c1-7-3(5)9-4(6)8-2/h1-2H3
InChIKey
GZDFHIJNHHMENY-UHFFFAOYSA-N
Physical Properties
Melting Point
15 - 17 °C
Boiling Point
BP: 44-47 °C at 5 mm Hg
45.00 to 46.00 °C. @ 5.00 mm Hg
Density
1.25 mg/L at 25 °C
Physical Description
Colourless liquid, decomposes in aqueous solution. It is corrosive to skin and eyes and toxic by inhalation and ingestion
Liquid
Appearance
Clear, colorless liquid
Colorless liquid
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
25.89
TPSA
61.83
LogP / Solubility
WLOGP
0.54
MLOGP
0.46
XLogP3
0.7
Consensus LogP
0.57
Log S (ESOL)
-1.01
Class (ESOL)
Soluble
Log S (Ali)
-1.05
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.98
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)
-3.16
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
1.5
