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CAS 27619-89-2 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctanesulphonyl chloride molecular structure lightbox
CAS RN: 27619-89-2

3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctanesulphonyl chloride

  • Product code: SSC-127553
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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 27619-89-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

27619-89-2 / 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctane-1-sulfonyl chloride

Standard CAS: 27619-89-2 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
27619-89-2
Multi CAS
Yes
Molecular Formula
C8H4CLF13O2S
Molecular Weight
446.610000
Exact Mass
445.941294
InChI
InChI=1S/C8H4ClF13O2S/c9-25(23,24)2-1-3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)22/h1-2H2
InChIKey
NDBZVZPOTNLWLU-UHFFFAOYSA-N

Physical Properties

Physical Description
Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
25
Fraction Csp3
1
Rotatable bonds
7
H-bond acceptors
2
Molar refractivity
55.05
TPSA
34.14

LogP / Solubility

WLOGP
4.68
MLOGP
4.15
XLogP3
5.2
Consensus LogP
4.68
Log S (ESOL)
-5.1
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.6
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.29
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.12

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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