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CAS 4668-00-2 Chlorotrimethoxysilane molecular structure lightbox
CAS RN: 4668-00-2

Chlorotrimethoxysilane

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250607 100g In stock Inquiry
Batchno.20250605 25g In stock Inquiry
Batchno.20250619 5g In stock Inquiry
  • Product code: ICTC3617
  • Purity/Analytical Methods: >90.0%(GC)
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4668-00-2 / chloro(trimethoxy)silane

Standard CAS: 4668-00-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4668-00-2
Multi CAS
Yes
Molecular Formula
C3H9CLO3SI
Molecular Weight
156.640000
Exact Mass
156.000948
InChI
InChI=1S/C3H9ClO3Si/c1-5-8(4,6-2)7-3/h1-3H3
InChIKey
CBVJWBYNOWIOFJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
32.63
TPSA
27.69

LogP / Solubility

WLOGP
0.6
MLOGP
0.52
XLogP3
0.6
Consensus LogP
0.57
Log S (ESOL)
-0.99
Class (ESOL)
Very soluble
Log S (Ali)
-1.28
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.54
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.25

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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