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CAS 868850-50-4 2,6-Bis(diphenylamino)anthraquinone molecular structure lightbox
CAS RN: 868850-50-4

2,6-Bis(diphenylamino)anthraquinone

Product Availability

Choose a grade to view its available package options.

7 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250904 100mg In stock Inquiry
Batchno.20250720 1g In stock Inquiry
Batchno.20250902 250mg In stock Inquiry
Batchno.20260311 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251130 100mg In stock Shanghai Inquiry
Batchno.20250114 1g In stock Shanghai, Tianjin Inquiry
Batchno.20251106 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
  • Product code: SSC-196206
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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: ≥96%
  • 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 868850-50-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥96% 0 Out of Stock Hong Kong Inquiry

868850-50-4 / 2,6-bis(N-phenylanilino)anthracene-9,10-dione

Standard CAS: 868850-50-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
868850-50-4
Multi CAS
No
Molecular Formula
C38H26N2O2
Molecular Weight
542.600000
Exact Mass
542.199428
InChI
InChI=1S/C38H26N2O2/c41-37-34-24-22-32(40(29-17-9-3-10-18-29)30-19-11-4-12-20-30)26-36(34)38(42)33-23-21-31(25-35(33)37)39(27-13-5-1-6-14-27)28-15-7-2-8-16-28/h1-26H
InChIKey
TZENEWLXCXPNFX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
42
Aromatic heavy atom count
36
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
169.11
TPSA
40.62

LogP / Solubility

WLOGP
9.4
MLOGP
8.31
XLogP3
9.3
Consensus LogP
9
Log S (ESOL)
-9.37
Class (ESOL)
Insoluble
Log S (Ali)
-10.8
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.71
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.65

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
6

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