CAS RN: 60506-81-2

Dipentaerythritol pentaacrylate

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  • Product code: starshine_CAS60506-81-2
  • Purity/Analytical Methods: >99.0%
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60506-81-2 / [2-(hydroxymethyl)-3-prop-2-enoyloxy-2-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]methyl]propyl] prop-2-enoate

Standard CAS: 60506-81-2 Multi CAS: Yes

Basic Information

CAS
60506-81-2
Multi CAS
Yes
Molecular Formula
C25H32O12
Molecular Weight
524.500000
Exact Mass
524.189376
InChI
InChI=1S/C25H32O12/c1-6-19(27)33-14-24(11-26,15-34-20(28)7-2)12-32-13-25(16-35-21(29)8-3,17-36-22(30)9-4)18-37-23(31)10-5/h6-10,26H,1-5,11-18H2
InChIKey
INXWLSDYDXPENO-UHFFFAOYSA-N

Physical Properties

Physical Description
NKRA; Other Solid; Water or Solvent Wet Solid; Liquid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
37
Fraction Csp3
0.4
Rotatable bonds
20
H-bond acceptors
12
H-bond donors
1
Molar refractivity
128.55
TPSA
160.96

LogP / Solubility

WLOGP
0.61
MLOGP
0.58
XLogP3
2
Consensus LogP
1.06
Log S (ESOL)
-2.16
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.3
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.98
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
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)
-5.48

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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