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CAS 3069-42-9 Octadecyltrimethoxysilane molecular structure lightbox
CAS RN: 3069-42-9

Octadecyltrimethoxysilane

Product Availability

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5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250312 100ml In stock Inquiry
Batchno.20250920 25ml In stock Inquiry
Batchno.20260602 500ml Out of stock Inquiry
Batchno.20260618 5ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251020 5ml / 25ml / 100ml / 500ml / 2.5L Confirm by inquiry Shanghai, Shandong, Guangdong, Hebei, Chongqing Inquiry
  • Product code: ICTO0256
  • Purity/Analytical Methods: >85.0%(GC)
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3069-42-9 / trimethoxy(octadecyl)silane

Standard CAS: 3069-42-9 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
3069-42-9
Multi CAS
Yes
Molecular Formula
C21H46O3Si
Molecular Weight
374.700000
Exact Mass
374.321622
InChI
InChI=1S/C21H46O3Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(22-2,23-3)24-4/h5-21H2,1-4H3
InChIKey
SLYCYWCVSGPDFR-UHFFFAOYSA-N

Physical Properties

Physical Description
Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
25
Fraction Csp3
1
Rotatable bonds
20
H-bond acceptors
3
Molar refractivity
111.13
TPSA
27.69

LogP / Solubility

WLOGP
7.13
MLOGP
6.29
XLogP3
7.13
Consensus LogP
6.85
Log S (ESOL)
-5.33
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.78
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.41
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
0.05

Drug-likeness / Medicinal Chemistry

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

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