CAS RN: 125668-59-9

Methacryloxymethyltrimethylgermane

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  • Product code: starshine_CAS125668-59-9
  • Purity/Analytical Methods: >99.0%
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125668-59-9 / trimethylgermylmethyl 2-methylprop-2-enoate

Standard CAS: 125668-59-9 Multi CAS: No

Basic Information

CAS
125668-59-9
Multi CAS
No
Molecular Formula
C8H16GeO2
Molecular Weight
216.840000
Exact Mass
218.036208
SMILES
CC(=C)C(=O)OC[Ge](C)(C)C
InChI
InChI=1S/C8H16GeO2/c1-7(2)8(10)11-6-9(3,4)5/h1,6H2,2-5H3
InChIKey
VWYKMPSIISPSAM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.62
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
49.12
TPSA
26.3

LogP / Solubility

WLOGP
1.98
MLOGP
1.75
XLogP3
1.98
Consensus LogP
1.9
Log S (ESOL)
-2.24
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.77
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.08
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)
-2.63

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
1.5

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