CAS RN: 67893-01-0

Zirconium methacrylate

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Batchno.20260202 25g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS67893-01-0
  • Purity/Analytical Methods: >99.0%
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67893-01-0 / tetrakis(2-methylprop-2-enoate);zirconium(4+)

Standard CAS: 67893-01-0 Multi CAS: Yes

Basic Information

CAS
67893-01-0
Multi CAS
Yes
Molecular Formula
C16H20O8Zr
Molecular Weight
431.550000
Exact Mass
430.020516
InChI
InChI=1S/4C4H6O2.Zr/c4*1-3(2)4(5)6;/h4*1H2,2H3,(H,5,6);/q;;;;+4/p-4
InChIKey
TUPMGGHTDIFOMI-UHFFFAOYSA-J

Computed Properties

Structural Parameters

Heavy atom count
25
Fraction Csp3
0.25
Rotatable bonds
4
H-bond acceptors
8
Molar refractivity
79.28
TPSA
160.52

LogP / Solubility

WLOGP
-2.75
MLOGP
-2.39
XLogP3
-2.75
Consensus LogP
-2.63
Log S (ESOL)
-0.52
Class (ESOL)
Very soluble
Log S (Ali)
-1.11
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.66
Class (SILICOS-IT)
Very 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)
-7.31

Drug-likeness / Medicinal Chemistry

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

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