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CAS 17741-60-5 2-(Perfluorodecyl)ethyl acrylate molecular structure lightbox
CAS RN: 17741-60-5

2-(Perfluorodecyl)ethyl acrylate

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260418 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS17741-60-5
  • Purity/Analytical Methods: >99.0%
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17741-60-5 / 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl prop-2-enoate

Standard CAS: 17741-60-5 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
17741-60-5
Multi CAS
No
Molecular Formula
C15H7F21O2
Molecular Weight
618.180000
Exact Mass
618.011071
SMILES
C=CC(=O)OCCC(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C15H7F21O2/c1-2-5(37)38-4-3-6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)12(28,29)13(30,31)14(32,33)15(34,35)36/h2H,1,3-4H2
InChIKey
FIAHOPQKBBASOY-UHFFFAOYSA-N

Physical Properties

Physical Description
Water or Solvent Wet Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
38
Fraction Csp3
0.8
Rotatable bonds
12
H-bond acceptors
2
Molar refractivity
76.35
TPSA
26.3

LogP / Solubility

WLOGP
7.39
MLOGP
6.55
XLogP3
8.2
Consensus LogP
7.38
Log S (ESOL)
-7.53
Class (ESOL)
Insoluble
Log S (Ali)
-9.96
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.25
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)
-1.25

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (96.8%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (96.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (96.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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