CAS RN: 34761-47-2

PERFLUORO-2,5,8,11-TETRAMETHYL-3,6,9,12-TETRAOXAPENTADECANOYL FLUORIDE

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  • Product code: starshine_CAS34761-47-2
  • Purity/Analytical Methods: >99.0%
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34761-47-2 / 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propoxy]propanoyl fluoride

Standard CAS: 34761-47-2 Multi CAS: Yes

Basic Information

CAS
34761-47-2
Multi CAS
Yes
Molecular Formula
C15F30O5
Molecular Weight
830.110000
Exact Mass
829.926668
InChI
InChI=1S/C15F30O5/c16-1(46)2(17,7(23,24)25)47-13(40,41)4(20,9(29,30)31)49-15(44,45)6(22,11(35,36)37)50-14(42,43)5(21,10(32,33)34)48-12(38,39)3(18,19)8(26,27)28
InChIKey
QDHLRGOEEBWEIB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
50
Fraction Csp3
0.93
Rotatable bonds
13
H-bond acceptors
5
Molar refractivity
80.82
TPSA
53.99

LogP / Solubility

WLOGP
9.03
MLOGP
8.02
XLogP3
10.3
Consensus LogP
9.12
Log S (ESOL)
-9.82
Class (ESOL)
Insoluble
Log S (Ali)
-12.89
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.11
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)
-1.37

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
6

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