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CAS 18143-33-4 CHLOROMETHYL(DIMETHYL)METHOXYSILANE molecular structure lightbox
CAS RN: 18143-33-4

CHLOROMETHYL(DIMETHYL)METHOXYSILANE

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  • Product code: starshine_CAS18143-33-4
  • Purity/Analytical Methods: >99.0%
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18143-33-4 / chloromethyl-methoxy-dimethylsilane

Standard CAS: 18143-33-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
18143-33-4
Multi CAS
No
Molecular Formula
C4H11ClOSi
Molecular Weight
138.670000
Exact Mass
138.026769
SMILES
CO[Si](C)(C)CCl
InChI
InChI=1S/C4H11ClOSi/c1-6-7(2,3)4-5/h4H2,1-3H3
InChIKey
ZCSLOBFDVTWIBL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
35.21
TPSA
9.23

LogP / Solubility

WLOGP
1.62
MLOGP
1.41
XLogP3
1.62
Consensus LogP
1.55
Log S (ESOL)
-1.59
Class (ESOL)
Soluble
Log S (Ali)
-1.86
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.14
Class (SILICOS-IT)
Moderately 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)
-2.42

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

Safety & Transport

Pictogram(s)
Flammable Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H226 (97.5%): Flammable liquid and vapor [Warning Flammable liquids] H315 (97.5%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (97.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H335 (97.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501

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