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CAS 335-95-5 SODIUM PERFLUOROOCTANOATE molecular structure lightbox
CAS RN: 335-95-5

SODIUM PERFLUOROOCTANOATE

  • Product code: SSC-139605
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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: >97%
  • 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 335-95-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >97% 0 Out of Stock Hong Kong Inquiry

335-95-5 / sodium 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate

Standard CAS: 335-95-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
335-95-5
Multi CAS
Yes
Molecular Formula
C8F15NAO2
Molecular Weight
436.050000
Exact Mass
435.955646
InChI
InChI=1S/C8HF15O2.Na/c9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23;/h(H,24,25);/q;+1/p-1
InChIKey
LWHQXUODFPPQTL-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
26
Fraction Csp3
0.88
Rotatable bonds
6
H-bond acceptors
2
Molar refractivity
40.74
TPSA
40.13

LogP / Solubility

WLOGP
0.11
MLOGP
0.13
XLogP3
0.11
Consensus LogP
0.12
Log S (ESOL)
-2.22
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.22
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.31
Class (SILICOS-IT)
Poorly 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)
-5.3

Drug-likeness / Medicinal Chemistry

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

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