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CAS 959053-85-1 11-ACETOXYUNDECYLTRIETHOXYSILANE molecular structure lightbox
CAS RN: 959053-85-1

11-ACETOXYUNDECYLTRIETHOXYSILANE

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260611 1g In stock Inquiry
Batchno.20251019 250mg In stock Inquiry
  • Product code: starshine_CAS959053-85-1
  • Purity/Analytical Methods: >99.0%
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959053-85-1 / 11-triethoxysilylundecyl acetate

Standard CAS: 959053-85-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
959053-85-1
Multi CAS
No
Molecular Formula
C19H40O5Si
Molecular Weight
376.600000
Exact Mass
376.264501
InChI
InChI=1S/C19H40O5Si/c1-5-22-25(23-6-2,24-7-3)18-16-14-12-10-8-9-11-13-15-17-21-19(4)20/h5-18H2,1-4H3
InChIKey
WUHZCNHGBOHDKN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Fraction Csp3
0.95
Rotatable bonds
18
H-bond acceptors
5
Molar refractivity
103.63
TPSA
53.99

LogP / Solubility

WLOGP
5.11
MLOGP
4.52
XLogP3
5.11
Consensus LogP
4.91
Log S (ESOL)
-4.21
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.34
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.51
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)
-1.39

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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