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CAS 146090-84-8 1H,1H,2H,2H-PERFLUORODODECYLTRIETHOXYSILANE molecular structure lightbox
CAS RN: 146090-84-8

1H,1H,2H,2H-PERFLUORODODECYLTRIETHOXYSILANE

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250303 1g In stock Inquiry
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  • Product code: starshine_CAS146090-84-8
  • Purity/Analytical Methods: >99.0%
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146090-84-8 / triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl)silane

Standard CAS: 146090-84-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
146090-84-8
Multi CAS
No
Molecular Formula
C18H19F21O3Si
Molecular Weight
710.400000
Exact Mass
710.076812
SMILES
CCO[Si](CCC(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(OCC)OCC
InChI
InChI=1S/C18H19F21O3Si/c1-4-40-43(41-5-2,42-6-3)8-7-9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)15(31,32)16(33,34)17(35,36)18(37,38)39/h4-8H2,1-3H3
InChIKey
KWEUJTRPCBXYLS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
43
Fraction Csp3
1
Rotatable bonds
17
H-bond acceptors
3
Molar refractivity
100.63
TPSA
27.69

LogP / Solubility

WLOGP
8.7
MLOGP
7.72
XLogP3
8.7
Consensus LogP
8.37
Log S (ESOL)
-8.61
Class (ESOL)
Insoluble
Log S (Ali)
-11.67
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.54
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.87

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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