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CAS 356-02-5 4,4,5,5,6,6,6-HEPTAFLUOROHEXANOIC ACID molecular structure lightbox
CAS RN: 356-02-5

4,4,5,5,6,6,6-HEPTAFLUOROHEXANOIC ACID

  • Product code: SSC-142620
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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: 1g
  • 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 356-02-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

356-02-5 / 4,4,5,5,6,6,6-heptafluorohexanoic acid

Standard CAS: 356-02-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
356-02-5
Multi CAS
No
Molecular Formula
C6F7H5O2
Molecular Weight
242.090000
Exact Mass
242.017777
InChI
InChI=1S/C6H5F7O2/c7-4(8,2-1-3(14)15)5(9,10)6(11,12)13/h1-2H2,(H,14,15)
InChIKey
ISFKSWMQWIRDNC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.83
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
32.82
TPSA
37.3

LogP / Solubility

WLOGP
2.68
MLOGP
2.37
XLogP3
2.5
Consensus LogP
2.52
Log S (ESOL)
-2.77
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.48
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.94
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)
-2.29

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
1.5

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