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CAS 79963-95-4 2,2,2-Trifluoroethyl Nonafluorobutanesulfonate molecular structure lightbox
CAS RN: 79963-95-4

2,2,2-Trifluoroethyl Nonafluorobutanesulfonate

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250601 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250123 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20250215 25g In stock Shanghai Inquiry
Batchno.20250207 5g In stock Shanghai, Chengdu Inquiry
  • Product code: SSC-188965
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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 79963-95-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

79963-95-4 / 2,2,2-trifluoroethyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate

Standard CAS: 79963-95-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
79963-95-4
Multi CAS
No
Molecular Formula
C6F12H2O3S
Molecular Weight
382.130000
Exact Mass
381.953303
InChI
InChI=1S/C6H2F12O3S/c7-2(8,9)1-21-22(19,20)6(17,18)4(12,13)3(10,11)5(14,15)16/h1H2
InChIKey
KJGYBFLEIPDFNQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Fraction Csp3
1
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
41.82
TPSA
43.37

LogP / Solubility

WLOGP
3.32
MLOGP
2.94
XLogP3
4
Consensus LogP
3.42
Log S (ESOL)
-3.97
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.09
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.5
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.69

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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