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CAS 335-70-6 1,8-Diiodoperfluorooctane molecular structure lightbox
CAS RN: 335-70-6

1,8-Diiodoperfluorooctane

Product Availability

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251103 1g In stock Shanghai, Shandong Inquiry
Batchno.20250820 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS335-70-6
  • Purity/Analytical Methods: >99.0%
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335-70-6 / 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-1,8-diiodooctane

Standard CAS: 335-70-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
335-70-6
Multi CAS
Yes
Molecular Formula
C8F16I2
Molecular Weight
653.870000
Exact Mass
653.783400
InChI
InChI=1S/C8F16I2/c9-1(10,3(13,14)5(17,18)7(21,22)25)2(11,12)4(15,16)6(19,20)8(23,24)26
InChIKey
SRDQTCUHAMDAMG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Fraction Csp3
1
Rotatable bonds
7
H-bond acceptors
16
Molar refractivity
67.62
TPSA
0.0000

LogP / Solubility

WLOGP
6.85
MLOGP
6.09
XLogP3
7.1
Consensus LogP
6.68
Log S (ESOL)
-7.75
Class (ESOL)
Insoluble
Log S (Ali)
-9.87
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.44
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)
-1.84

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
2.5

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