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CAS 948-44-7 Phenoxathiin 10-oxide molecular structure lightbox
CAS RN: 948-44-7

Phenoxathiin 10-oxide

  • Product code: SSC-209994
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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: ≥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 948-44-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

948-44-7 / phenoxathiine 10-oxide

Standard CAS: 948-44-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
948-44-7
Multi CAS
Yes
Molecular Formula
C12H8O2S
Molecular Weight
216.260000
Exact Mass
216.024501
InChI
InChI=1S/C12H8O2S/c13-15-11-7-3-1-5-9(11)14-10-6-2-4-8-12(10)15/h1-8H
InChIKey
ZESLIAUQVGLCIA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
12
H-bond acceptors
2
Molar refractivity
57.63
TPSA
26.3

LogP / Solubility

WLOGP
2.96
MLOGP
2.61
XLogP3
2.3
Consensus LogP
2.62
Log S (ESOL)
-3.64
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.47
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.52
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.94

Drug-likeness / Medicinal Chemistry

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

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