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CAS 423-72-3 1H,1H,13H-PERFLUOROTRIDECAN-1-OL molecular structure lightbox
CAS RN: 423-72-3

1H,1H,13H-PERFLUOROTRIDECAN-1-OL

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260322 1g In stock Inquiry
Batchno.20250212 25g In stock Inquiry
Batchno.20251113 50g In stock Inquiry
Batchno.20250126 5g In stock Inquiry
  • Product code: starshine_CAS423-72-3
  • Purity/Analytical Methods: >99.0%
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423-72-3 / 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13-tetracosafluorotridecan-1-ol

Standard CAS: 423-72-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
423-72-3
Multi CAS
Yes
Molecular Formula
C13F24H4O
Molecular Weight
632.130000
Exact Mass
631.987891
InChI
InChI=1S/C13H4F24O/c14-2(15)4(18,19)6(22,23)8(26,27)10(30,31)12(34,35)13(36,37)11(32,33)9(28,29)7(24,25)5(20,21)3(16,17)1-38/h2,38H,1H2
InChIKey
LNNWSUTUIVJKDJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
38
Fraction Csp3
1
Rotatable bonds
12
H-bond acceptors
1
H-bond donors
1
Molar refractivity
67.51
TPSA
20.23

LogP / Solubility

WLOGP
7.23
MLOGP
6.42
XLogP3
7.8
Consensus LogP
7.15
Log S (ESOL)
-7.52
Class (ESOL)
Insoluble
Log S (Ali)
-9.97
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.21
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)
-1.44

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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