CAS RN: 307-45-9
PERFLUORODECANE
Product Availability
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4 package records4 with current stock1 grade group
- Product code: starshine_CAS307-45-9
- Purity/Analytical Methods: >99.0%
307-45-9 / 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-docosafluorodecane
Basic Information
CAS
307-45-9
Multi CAS
No
Molecular Formula
C10F22
Molecular Weight
538.070000
Exact Mass
537.964870
InChI
InChI=1S/C10F22/c11-1(12,3(15,16)5(19,20)7(23,24)9(27,28)29)2(13,14)4(17,18)6(21,22)8(25,26)10(30,31)32
InChIKey
BPHQIXJDBIHMLT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Fraction Csp3
1
Rotatable bonds
7
H-bond acceptors
22
Molar refractivity
51.69
TPSA
0.0000
LogP / Solubility
WLOGP
7.19
MLOGP
6.37
XLogP3
7.8
Consensus LogP
7.12
Log S (ESOL)
-7.25
Class (ESOL)
Insoluble
Log S (Ali)
-9.17
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.97
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)
-0.89
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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