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CAS 59099-58-0 2-Methoxyphenyl Trifluoromethanesulfonate molecular structure lightbox
CAS RN: 59099-58-0

2-Methoxyphenyl Trifluoromethanesulfonate

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250319 100g Out of stock Inquiry
Batchno.20250724 1g In stock Shanghai, Tianjin Inquiry
Batchno.20250929 25g In stock Shanghai Inquiry
Batchno.20250619 5g In stock Shanghai Inquiry
  • Product code: SSC-167482
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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 59099-58-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 0 Out of Stock Shanghai Inquiry

59099-58-0 / (2-methoxyphenyl) trifluoromethanesulfonate

Standard CAS: 59099-58-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
59099-58-0
Multi CAS
No
Molecular Formula
C8F3H7O4S
Molecular Weight
256.200000
Exact Mass
256.001714
InChI
InChI=1S/C8H7F3O4S/c1-14-6-4-2-3-5-7(6)15-16(12,13)8(9,10)11/h2-5H,1H3
InChIKey
RCDZTJFBROIDKD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
48.6
TPSA
52.6

LogP / Solubility

WLOGP
1.92
MLOGP
1.7
XLogP3
2.6
Consensus LogP
2.07
Log S (ESOL)
-2.72
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.05
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.28
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)
-2.92

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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