CAS RN: 85857-16-5

Trimethoxy(1H,1H,2H,2H-tridecafluoro-n-octyl)silane

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12 package records12 with current stock2 grade groups
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Batchno.20251111 100g In stock Inquiry
Batchno.20250304 10g In stock Inquiry
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Batchno.20260612 5g In stock Inquiry
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Batchno.20250210 100g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250925 10g In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20250717 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260419 1kg In stock Shanghai Inquiry
Batchno.20250327 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250527 500g In stock Shanghai, Shenzhen Inquiry
Batchno.20250222 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: ICTT3560
  • Purity/Analytical Methods: >97.0%(GC)
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85857-16-5 / trimethoxy(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane

Standard CAS: 85857-16-5 Multi CAS: Yes

Basic Information

CAS
85857-16-5
Multi CAS
Yes
Molecular Formula
C11F13H13O3Si
Molecular Weight
468.280000
Exact Mass
468.042637
InChI
InChI=1S/C11H13F13O3Si/c1-25-28(26-2,27-3)5-4-6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h4-5H2,1-3H3
InChIKey
BVQYIDJXNYHKRK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Fraction Csp3
1
Rotatable bonds
10
H-bond acceptors
3
Molar refractivity
66.99
TPSA
27.69

LogP / Solubility

WLOGP
4.99
MLOGP
4.43
XLogP3
4.99
Consensus LogP
4.8
Log S (ESOL)
-5.23
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.01
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.05
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
Yes
Log Kp (skin permeation)
-2.03

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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