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CAS 89889-20-3 3-(PERFLUOROHEXYL)PROPYL IODIDE molecular structure lightbox
CAS RN: 89889-20-3

3-(PERFLUOROHEXYL)PROPYL IODIDE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250821 100mg / 250mg / 1g / 5g / 25g Confirm by inquiry Shandong Inquiry
  • Product code: starshine_CAS89889-20-3
  • Purity/Analytical Methods: >99.0%
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89889-20-3 / 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-9-iodononane

Standard CAS: 89889-20-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
89889-20-3
Multi CAS
No
Molecular Formula
C9F13H6I
Molecular Weight
488.030000
Exact Mass
487.930660
InChI
InChI=1S/C9H6F13I/c10-4(11,2-1-3-23)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h1-3H2
InChIKey
DBWLHXGWJWZTDX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Fraction Csp3
1
Rotatable bonds
7
H-bond acceptors
13
Molar refractivity
58.91
TPSA
0.0000

LogP / Solubility

WLOGP
5.94
MLOGP
5.26
XLogP3
6.7
Consensus LogP
5.97
Log S (ESOL)
-6.15
Class (ESOL)
Insoluble
Log S (Ali)
-7.85
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.6
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)
-1.48

Drug-likeness / Medicinal Chemistry

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

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