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CAS 135841-49-5 Trimethyl(tridecafluorohexyl)silane molecular structure lightbox
CAS RN: 135841-49-5

Trimethyl(tridecafluorohexyl)silane

  • Product code: SSC-044447
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 135841-49-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

135841-49-5 / trimethyl(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane

Standard CAS: 135841-49-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
135841-49-5
Multi CAS
No
Molecular Formula
C9H9F13Si
Molecular Weight
392.230000
Exact Mass
392.026593
SMILES
C[Si](C)(C)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C9H9F13Si/c1-23(2,3)9(21,22)7(16,17)5(12,13)4(10,11)6(14,15)8(18,19)20/h1-3H3
InChIKey
AHGSEBBCGYXEBF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Fraction Csp3
1
Rotatable bonds
5
H-bond acceptors
13
Molar refractivity
54.14
TPSA
0.0000

LogP / Solubility

WLOGP
5.6
MLOGP
4.95
XLogP3
5.6
Consensus LogP
5.38
Log S (ESOL)
-5.47
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.82
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.46
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)
-1.13

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
2.5

Safety & Transport

Pictogram(s)
Flammable
Signal
Warning
GHS Hazard Statements
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501

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