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CAS 5089-76-9 tetrakis(1-methylpropyl) orthosilicate molecular structure lightbox
CAS RN: 5089-76-9

tetrakis(1-methylpropyl) orthosilicate

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2 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260109 25g Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260523 25g / 100g / 500g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: starshine_CAS5089-76-9
  • Purity/Analytical Methods: >99.0%
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5089-76-9 / tetrabutan-2-yl silicate

Standard CAS: 5089-76-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5089-76-9
Multi CAS
Yes
Molecular Formula
C16H36O4Si
Molecular Weight
320.540000
Exact Mass
320.238286
InChI
InChI=1S/C16H36O4Si/c1-9-13(5)17-21(18-14(6)10-2,19-15(7)11-3)20-16(8)12-4/h13-16H,9-12H2,1-8H3
InChIKey
OQTSOKXAWXRIAC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Fraction Csp3
1
Rotatable bonds
12
H-bond acceptors
4
Molar refractivity
89.11
TPSA
36.92

LogP / Solubility

WLOGP
4.68
MLOGP
4.13
XLogP3
4.68
Consensus LogP
4.5
Log S (ESOL)
-3.99
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.57
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.07
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.35

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

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