CAS RN: 17865-85-9

Octamethylsilsesquioxane

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4 package records4 with current stock2 grade groups
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Batchno.20250118 250mg / 2g / 10g / 25g / 100g Confirm by inquiry Shanghai, Shandong 5-7 business days Inquiry
  • Product code: starshine_CAS17865-85-9
  • Purity/Analytical Methods: >99.0%
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17865-85-9 / 1,3,5,7,9,11,13,15-octamethyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosane

Standard CAS: 17865-85-9 Multi CAS: No

Basic Information

CAS
17865-85-9
Multi CAS
No
Molecular Formula
C8H24O12Si8
Molecular Weight
536.950000
Exact Mass
535.942188
SMILES
C[Si]12O[Si]3(O[Si]4(O[Si](O1)(O[Si]5(O[Si](O2)(O[Si](O3)(O[Si](O4)(O5)C)C)C)C)C)C)C
InChI
InChI=1S/C8H24O12Si8/c1-21-9-22(2)12-25(5)14-23(3,10-21)16-27(7)17-24(4,11-21)15-26(6,13-22)19-28(8,18-25)20-27/h1-8H3
InChIKey
SOQGBGSEJYZNPS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Fraction Csp3
1
H-bond acceptors
12
Molar refractivity
105.96
TPSA
110.76

LogP / Solubility

WLOGP
0.8
MLOGP
0.75
XLogP3
0.8
Consensus LogP
0.78
Log S (ESOL)
-3.68
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.54
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-3.82
Class (SILICOS-IT)
Poorly soluble

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)
-5.43

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

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