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CAS 38565-54-7 3-PERFLUORODECYL-1,2-EPOXYPROPANE molecular structure lightbox
CAS RN: 38565-54-7

3-PERFLUORODECYL-1,2-EPOXYPROPANE

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2 package records2 with current stock2 grade groups
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  • Product code: starshine_CAS38565-54-7
  • Purity/Analytical Methods: >99.0%
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38565-54-7 / 2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-henicosafluoroundecyl)oxirane

Standard CAS: 38565-54-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
38565-54-7
Multi CAS
No
Molecular Formula
C13F21H5O
Molecular Weight
576.140000
Exact Mass
576.000506
InChI
InChI=1S/C13H5F21O/c14-4(15,1-3-2-35-3)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)10(26,27)11(28,29)12(30,31)13(32,33)34/h3H,1-2H2
InChIKey
KVLHRMQNRDJRKW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Fraction Csp3
1
Rotatable bonds
10
H-bond acceptors
1
Molar refractivity
64.93
TPSA
12.53

LogP / Solubility

WLOGP
7.06
MLOGP
6.25
XLogP3
7.4
Consensus LogP
6.9
Log S (ESOL)
-7.2
Class (ESOL)
Insoluble
Log S (Ali)
-9.38
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.46
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)
-1.23

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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