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CAS 52408-84-1 GLYCERYL PROPOXY TRIACRYLATE molecular structure lightbox
CAS RN: 52408-84-1

GLYCERYL PROPOXY TRIACRYLATE

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  • Product code: starshine_CAS52408-84-1
  • Purity/Analytical Methods: >99.0%
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52408-84-1 / 3-[2,3-bis(3-prop-2-enoyloxypropoxy)propoxy]propyl prop-2-enoate

Standard CAS: 52408-84-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
52408-84-1
Multi CAS
Yes
Molecular Formula
C21H32O9
Molecular Weight
428.500000
Exact Mass
428.204633
InChI
InChI=1S/C21H32O9/c1-4-19(22)28-13-7-10-25-16-18(27-12-9-15-30-21(24)6-3)17-26-11-8-14-29-20(23)5-2/h4-6,18H,1-3,7-17H2
InChIKey
DMQYPVOQAARSNF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Fraction Csp3
0.57
Rotatable bonds
20
H-bond acceptors
9
Molar refractivity
108.7
TPSA
106.59

LogP / Solubility

WLOGP
1.76
MLOGP
1.58
XLogP3
2.4
Consensus LogP
1.91
Log S (ESOL)
-2.29
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.35
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.31
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.08

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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