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CAS 18147-81-4 2-(CARBOMETHOXY)ETHYLTRICHLOROSILANE molecular structure lightbox
CAS RN: 18147-81-4

2-(CARBOMETHOXY)ETHYLTRICHLOROSILANE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250805 25g / 100g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS18147-81-4
  • Purity/Analytical Methods: >99.0%
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18147-81-4 / methyl 3-trichlorosilylpropanoate

Standard CAS: 18147-81-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
18147-81-4
Multi CAS
No
Molecular Formula
C4H7Cl3O2Si
Molecular Weight
221.540000
Exact Mass
219.928089
SMILES
COC(=O)CC[Si](Cl)(Cl)Cl
InChI
InChI=1S/C4H7Cl3O2Si/c1-9-4(8)2-3-10(5,6)7/h2-3H2,1H3
InChIKey
GHWAWUSLARFVNH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.75
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
44.75
TPSA
26.3

LogP / Solubility

WLOGP
2.2
MLOGP
1.94
XLogP3
2.2
Consensus LogP
2.11
Log S (ESOL)
-2.4
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.97
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.29
Class (SILICOS-IT)
Poorly 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)
-2.51

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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