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CAS 29540-83-8 p-Tolyl Trifluoromethanesulfonate molecular structure lightbox
CAS RN: 29540-83-8

p-Tolyl Trifluoromethanesulfonate

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251109 1g Out of stock Inquiry
Batchno.20250120 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong, Hebei Inquiry
Batchno.20250121 25g In stock Shanghai, Tianjin Inquiry
Batchno.20250512 5g In stock Shanghai Inquiry
  • Product code: SSC-132490
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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: ≥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 29540-83-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Hong Kong Inquiry

29540-83-8 / (4-methylphenyl) trifluoromethanesulfonate

Standard CAS: 29540-83-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
29540-83-8
Multi CAS
Yes
Molecular Formula
C8F3H7O3S
Molecular Weight
240.200000
Exact Mass
240.006800
InChI
InChI=1S/C8H7F3O3S/c1-6-2-4-7(5-3-6)14-15(12,13)8(9,10)11/h2-5H,1H3
InChIKey
XXSBXVHIYGQWDV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
46.78
TPSA
43.37

LogP / Solubility

WLOGP
2.22
MLOGP
1.96
XLogP3
3
Consensus LogP
2.39
Log S (ESOL)
-2.89
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.13
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)
-2.61

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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