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CAS 38565-53-6 1,2-Epoxy-1H,1H,2H,3H,3H-heptadecafluoroundecane molecular structure lightbox
CAS RN: 38565-53-6

1,2-Epoxy-1H,1H,2H,3H,3H-heptadecafluoroundecane

Product Availability

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3 package records3 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250910 1g / 5g / 25g Confirm by inquiry Shanghai, Guangdong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250204 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong, Guangdong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260114 1g In stock Shanghai Inquiry
  • Product code: ICTE0462
  • Purity/Analytical Methods: >98.0%(GC)
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38565-53-6 / 2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononyl)oxirane

Standard CAS: 38565-53-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
38565-53-6
Multi CAS
Yes
Molecular Formula
C11F17H5O
Molecular Weight
476.130000
Exact Mass
476.006894
InChI
InChI=1S/C11H5F17O/c12-4(13,1-3-2-29-3)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28/h3H,1-2H2
InChIKey
HMXSIEIEXLGIET-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Fraction Csp3
1
Rotatable bonds
8
H-bond acceptors
1
Molar refractivity
55.04
TPSA
12.53

LogP / Solubility

WLOGP
5.78
MLOGP
5.12
XLogP3
6.1
Consensus LogP
5.67
Log S (ESOL)
-5.91
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.64
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.52
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)
-1.52

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
3

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