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CAS 1678-43-9 2-Phenyl-2-(p-toluenesulfonyloxy)acetophenone molecular structure lightbox
CAS RN: 1678-43-9

2-Phenyl-2-(p-toluenesulfonyloxy)acetophenone

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260410 250mg / 1g Confirm by inquiry Shandong Inquiry
  • Product code: SSC-073179
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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: ≥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 1678-43-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1678-43-9 / (2-oxo-1,2-diphenylethyl) 4-methylbenzenesulfonate

Standard CAS: 1678-43-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1678-43-9
Multi CAS
No
Molecular Formula
C21H18O4S
Molecular Weight
366.400000
Exact Mass
366.092580
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OC(C2=CC=CC=C2)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C21H18O4S/c1-16-12-14-19(15-13-16)26(23,24)25-21(18-10-6-3-7-11-18)20(22)17-8-4-2-5-9-17/h2-15,21H,1H3
InChIKey
DLDWUFCUUXXYTB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
18
Fraction Csp3
0.1
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
99.41
TPSA
60.44

LogP / Solubility

WLOGP
4.32
MLOGP
3.83
XLogP3
4.7
Consensus LogP
4.28
Log S (ESOL)
-4.95
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.69
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.35
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)
-1.88

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
3

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