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CAS 52217-60-4 1,8-Bis(triethoxysilyl)octane molecular structure lightbox
CAS RN: 52217-60-4

1,8-Bis(triethoxysilyl)octane

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250108 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS52217-60-4
  • Purity/Analytical Methods: >99.0%
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52217-60-4 / triethoxy(8-triethoxysilyloctyl)silane

Standard CAS: 52217-60-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
52217-60-4
Multi CAS
Yes
Molecular Formula
C20H46O6Si2
Molecular Weight
438.700000
Exact Mass
438.283292
InChI
InChI=1S/C20H46O6Si2/c1-7-21-27(22-8-2,23-9-3)19-17-15-13-14-16-18-20-28(24-10-4,25-11-5)26-12-6/h7-20H2,1-6H3
InChIKey
OSAJVUUALHWJEM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Fraction Csp3
1
Rotatable bonds
21
H-bond acceptors
6
Molar refractivity
118.58
TPSA
55.38

LogP / Solubility

WLOGP
5.42
MLOGP
4.8
XLogP3
5.42
Consensus LogP
5.21
Log S (ESOL)
-4.59
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.07
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.53
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.55

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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