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CAS 228700-87-6 METHOXYTRIETHYLENEOXYPROPYLTRICHLOROSILANE molecular structure lightbox
CAS RN: 228700-87-6

METHOXYTRIETHYLENEOXYPROPYLTRICHLOROSILANE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250517 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS228700-87-6
  • Purity/Analytical Methods: >99.0%
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228700-87-6 / trichloro-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propyl]silane

Standard CAS: 228700-87-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
228700-87-6
Multi CAS
No
Molecular Formula
C10H21Cl3O4Si
Molecular Weight
339.700000
Exact Mass
338.027469
SMILES
COCCOCCOCCOCCC[Si](Cl)(Cl)Cl
InChI
InChI=1S/C10H21Cl3O4Si/c1-14-4-5-16-8-9-17-7-6-15-3-2-10-18(11,12)13/h2-10H2,1H3
InChIKey
ODPFZNKFZKODEL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
1
Rotatable bonds
13
H-bond acceptors
4
Molar refractivity
77.07
TPSA
36.92

LogP / Solubility

WLOGP
2.73
MLOGP
2.42
XLogP3
2.73
Consensus LogP
2.63
Log S (ESOL)
-2.81
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.32
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.69
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.86

Drug-likeness / Medicinal Chemistry

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

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