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CAS 2128707-95-7 Methanesulfonic acid, 1,1,1-trifluoro-, 7-phenyl-1-dibenzofuranyl ester molecular structure lightbox
CAS RN: 2128707-95-7

Methanesulfonic acid, 1,1,1-trifluoro-, 7-phenyl-1-dibenzofuranyl ester

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260209 100mg In stock Shanghai Inquiry
Batchno.20250303 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
Batchno.20260429 1g In stock Shanghai Inquiry
Batchno.20260301 250mg In stock Shanghai Inquiry
  • Product code: SSC-101680
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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: 1g
  • 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 2128707-95-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

2128707-95-7 / (7-phenyldibenzofuran-1-yl) trifluoromethanesulfonate

Standard CAS: 2128707-95-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2128707-95-7
Multi CAS
No
Molecular Formula
C19H11F3O4S
Molecular Weight
392.300000
Exact Mass
392.033014
SMILES
C1=CC=C(C=C1)C2=CC3=C(C=C2)C4=C(O3)C=CC=C4OS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C19H11F3O4S/c20-19(21,22)27(23,24)26-16-8-4-7-15-18(16)14-10-9-13(11-17(14)25-15)12-5-2-1-3-6-12/h1-11H
InChIKey
SDPFCTQJCUUAAJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
19
Fraction Csp3
0.05
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
94.76
TPSA
56.51

LogP / Solubility

WLOGP
5.48
MLOGP
4.85
XLogP3
6
Consensus LogP
5.44
Log S (ESOL)
-6.05
Class (ESOL)
Insoluble
Log S (Ali)
-6.73
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.12
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.22

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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