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CAS 67584-61-6 2-[methyl[(tridecafluorohexyl)sulphonyl]amino]ethyl methacrylate molecular structure lightbox
CAS RN: 67584-61-6

2-[methyl[(tridecafluorohexyl)sulphonyl]amino]ethyl methacrylate

  • Product code: SSC-177276
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 67584-61-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

67584-61-6 / 2-[methyl(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)amino]ethyl 2-methylprop-2-enoate

Standard CAS: 67584-61-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
67584-61-6
Multi CAS
Yes
Molecular Formula
C13F13H12NO4S
Molecular Weight
525.280000
Exact Mass
525.027945
InChI
InChI=1S/C13H12F13NO4S/c1-6(2)7(28)31-5-4-27(3)32(29,30)13(25,26)11(20,21)9(16,17)8(14,15)10(18,19)12(22,23)24/h1,4-5H2,2-3H3
InChIKey
MVZJFKDUUZOQFM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Fraction Csp3
0.77
Rotatable bonds
10
H-bond acceptors
4
Molar refractivity
78.11
TPSA
63.68

LogP / Solubility

WLOGP
4.06
MLOGP
3.62
XLogP3
4.9
Consensus LogP
4.19
Log S (ESOL)
-5
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.8
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.65
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.04

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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