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CAS 17763-91-6 Catechol Bis(trifluoromethanesulfonate) molecular structure lightbox
CAS RN: 17763-91-6

Catechol Bis(trifluoromethanesulfonate)

Product Availability

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7 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260508 1g In stock Inquiry
Batchno.20250708 250mg In stock Inquiry
Batchno.20260531 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260504 1g In stock Shanghai, Chengdu Inquiry
Batchno.20251204 250mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250806 25g Out of stock Inquiry
Batchno.20251223 5g In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-077664
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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: ≥98%
  • 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 17763-91-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 0 Out of Stock Hong Kong Inquiry

17763-91-6 / [2-(trifluoromethylsulfonyloxy)phenyl] trifluoromethanesulfonate

Standard CAS: 17763-91-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
17763-91-6
Multi CAS
No
Molecular Formula
C8H4F6O6S2
Molecular Weight
374.200000
Exact Mass
373.935349
SMILES
C1=CC=C(C(=C1)OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C8H4F6O6S2/c9-7(10,11)21(15,16)19-5-3-1-2-4-6(5)20-22(17,18)8(12,13)14/h1-4H
InChIKey
XISAIQHXAICQIV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
4
H-bond acceptors
6
Molar refractivity
57.65
TPSA
86.74

LogP / Solubility

WLOGP
2.14
MLOGP
1.91
XLogP3
3.4
Consensus LogP
2.48
Log S (ESOL)
-3.45
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.18
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.35
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.48

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

Safety & Transport

Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501

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