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CAS 82799-44-8 2,4-Diethylthioxanthen-9-one molecular structure lightbox
CAS RN: 82799-44-8

2,4-Diethylthioxanthen-9-one

Product Availability

Choose a grade to view its available package options.

12 package records11 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260121 100g In stock Shenzhen, Chengdu Inquiry
Batchno.20250610 10g In stock Shanghai, Chengdu Inquiry
Batchno.20251125 1kg Out of stock Inquiry
Batchno.20251101 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260304 500g In stock Shanghai, Tianjin Inquiry
Batchno.20250126 5g In stock Shanghai, Shenzhen Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250614 100g In stock Shanghai, Shandong, Chongqing Inquiry
Batchno.20260307 1g In stock Shanghai, Shandong, Guangdong Inquiry
Batchno.20260509 2.5kg In stock Shandong Inquiry
Batchno.20251008 25g In stock Shanghai, Shandong Inquiry
Batchno.20260126 500g In stock Shandong, Hebei Inquiry
Batchno.20250618 5g In stock Shandong, Guangdong, Hebei Inquiry
  • Product code: SSC-190845
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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: 100g
  • 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 82799-44-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ＞97% 0 Out of Stock Shenzhen Inquiry

82799-44-8 / 2,4-diethylthioxanthen-9-one

Standard CAS: 82799-44-8 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
82799-44-8
Multi CAS
Yes
Molecular Formula
C17H16OS
Molecular Weight
268.400000
Exact Mass
268.092186
InChI
InChI=1S/C17H16OS/c1-3-11-9-12(4-2)17-14(10-11)16(18)13-7-5-6-8-15(13)19-17/h5-10H,3-4H2,1-2H3
InChIKey
BTJPUDCSZVCXFQ-UHFFFAOYSA-N

Physical Properties

Physical Description
Liquid; Dry Powder; Liquid, Other Solid; NKRA; Pellets or Large Crystals
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
14
Fraction Csp3
0.24
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
84.36
TPSA
17.07

LogP / Solubility

WLOGP
4.54
MLOGP
4
XLogP3
5.1
Consensus LogP
4.55
Log S (ESOL)
-4.78
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.04
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.41
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.13

Drug-likeness / Medicinal Chemistry

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

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