CAS RN: 57472-68-1
Dipropylene Glycol Diacrylate (stabilized with MEHQ)
Product Availability
Choose a grade to view its available package options.
3 package records0 with current stock1 grade group
- Product code: ICTD3470
- Purity/Analytical Methods: >80.0%(GC)
57472-68-1 / 1-(2-prop-2-enoyloxypropoxy)propan-2-yl prop-2-enoate
Basic Information
CAS
57472-68-1
Multi CAS
Yes
Molecular Formula
C12H18O5
Molecular Weight
242.270000
Exact Mass
242.115424
InChI
InChI=1S/C12H18O5/c1-5-11(13)16-9(3)7-15-8-10(4)17-12(14)6-2/h5-6,9-10H,1-2,7-8H2,3-4H3
InChIKey
RNJVAUBBYGWVBF-UHFFFAOYSA-N
Physical Properties
Physical Description
Liquid; Water or Solvent Wet Solid; NKRA
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.5
Rotatable bonds
8
H-bond acceptors
5
Molar refractivity
62.32
TPSA
61.83
LogP / Solubility
WLOGP
1.24
MLOGP
1.09
XLogP3
1.9
Consensus LogP
1.41
Log S (ESOL)
-1.59
Class (ESOL)
Soluble
Log S (Ali)
-2.44
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.22
Class (SILICOS-IT)
Poorly 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)
-3.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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