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CAS 67674-48-0 1,1,1,3,3,3-Hexafluoroisopropyl p-Toluenesulfonate molecular structure lightbox
CAS RN: 67674-48-0

1,1,1,3,3,3-Hexafluoroisopropyl p-Toluenesulfonate

Product Availability

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5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260102 100g In stock Inquiry
Batchno.20260612 1g In stock Inquiry
Batchno.20250908 25g In stock Inquiry
Batchno.20250214 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251018 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-177437
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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: 25g
  • 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 67674-48-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Beijing Inquiry

67674-48-0 / 1,1,1,3,3,3-hexafluoropropan-2-yl 4-methylbenzenesulfonate

Standard CAS: 67674-48-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
67674-48-0
Multi CAS
Yes
Molecular Formula
C10F6H8O3S
Molecular Weight
322.230000
Exact Mass
322.009834
InChI
InChI=1S/C10H8F6O3S/c1-6-2-4-7(5-3-6)20(17,18)19-8(9(11,12)13)10(14,15)16/h2-5,8H,1H3
InChIKey
QGSVBFAODCJVIZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
55.35
TPSA
43.37

LogP / Solubility

WLOGP
3.19
MLOGP
2.82
XLogP3
3.9
Consensus LogP
3.3
Log S (ESOL)
-3.87
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.51
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.77
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
No
Log Kp (skin permeation)
-2.42

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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