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CAS 424-36-2 Ethyl Nonafluorovalerate molecular structure lightbox
CAS RN: 424-36-2

Ethyl Nonafluorovalerate

  • Product code: SSC-150717
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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: 5g
  • 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 424-36-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

424-36-2 / ethyl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate

Standard CAS: 424-36-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
424-36-2
Multi CAS
No
Molecular Formula
C7F9H5O2
Molecular Weight
292.100000
Exact Mass
292.014583
InChI
InChI=1S/C7H5F9O2/c1-2-18-3(17)4(8,9)5(10,11)6(12,13)7(14,15)16/h2H2,1H3
InChIKey
JBEYNXOZKKQLOH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.86
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
37.53
TPSA
26.3

LogP / Solubility

WLOGP
3.02
MLOGP
2.67
XLogP3
3.5
Consensus LogP
3.06
Log S (ESOL)
-3.29
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.13
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.54
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.36

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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