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CAS 27668-52-6 Dimethyloctadecyl[3-(trimethoxysilyl)propyl]ammonium chloride molecular structure lightbox
CAS RN: 27668-52-6

Dimethyloctadecyl[3-(trimethoxysilyl)propyl]ammonium chloride

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6 package records6 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250615 100ml In stock Shanghai, Shandong, Chongqing Inquiry
Batchno.20251004 500ml In stock Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250506 100ml In stock Shandong, Hebei Inquiry
Batchno.20251216 2.5L In stock Shandong Inquiry
Batchno.20250908 500ml In stock Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250503 1g / 5g / 25g / 100g / 500g / 1kg / 2.5kg Confirm by inquiry Shandong, Guangdong, Shanghai, Hebei, Chongqing Inquiry
  • Product code: starshine_CAS27668-52-6
  • Purity/Analytical Methods: >99.0%
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27668-52-6 / dimethyl-octadecyl-(3-trimethoxysilylpropyl)azanium chloride

Standard CAS: 27668-52-6 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
27668-52-6
Multi CAS
Yes
Molecular Formula
C26H58CLNO3SI
Molecular Weight
496.300000
Exact Mass
495.387449
InChI
InChI=1S/C26H58NO3Si.ClH/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-27(2,3)25-23-26-31(28-4,29-5)30-6;/h7-26H2,1-6H3;1H/q+1;/p-1
InChIKey
WSFMFXQNYPNYGG-UHFFFAOYSA-M

Physical Properties

Physical Description
Liquid Light yellow to off-white liquid; [Reference #1]
Appearance
Pale yellow to off white light brown liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
32
Fraction Csp3
1
Rotatable bonds
24
H-bond acceptors
3
Molar refractivity
137.59
TPSA
27.69

LogP / Solubility

WLOGP
4.6
MLOGP
4.08
XLogP3
4.6
Consensus LogP
4.43
Log S (ESOL)
-4.23
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.95
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.58
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)
-2.48

Drug-likeness / Medicinal Chemistry

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

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