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CAS 307-46-0 1H,1H-PERFLUOROUNDECAN-1-OL molecular structure lightbox
CAS RN: 307-46-0

1H,1H-PERFLUOROUNDECAN-1-OL

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250123 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS307-46-0
  • Purity/Analytical Methods: >99.0%
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307-46-0 / 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-henicosafluoroundecan-1-ol

Standard CAS: 307-46-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
307-46-0
Multi CAS
No
Molecular Formula
C11F21H3O
Molecular Weight
550.110000
Exact Mass
549.984856
InChI
InChI=1S/C11H3F21O/c12-2(13,1-33)3(14,15)4(16,17)5(18,19)6(20,21)7(22,23)8(24,25)9(26,27)10(28,29)11(30,31)32/h33H,1H2
InChIKey
MPAMAEMOVKLPRB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Fraction Csp3
1
Rotatable bonds
9
H-bond acceptors
1
H-bond donors
1
Molar refractivity
57.66
TPSA
20.23

LogP / Solubility

WLOGP
6.26
MLOGP
5.55
XLogP3
6.6
Consensus LogP
6.14
Log S (ESOL)
-6.6
Class (ESOL)
Insoluble
Log S (Ali)
-8.59
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.51
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)
-1.63

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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