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CAS 82-22-4 1,1′-Iminodianthraquinone [for Determination of Boron] molecular structure lightbox
CAS RN: 82-22-4

1,1′-Iminodianthraquinone [for Determination of Boron]

Product Availability

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250531 1g In stock Shanghai, Guangdong Inquiry
Batchno.20251103 200mg In stock Shanghai Inquiry
  • Product code: SSC-190247
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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: ≥98%
  • 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 82-22-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 0 Out of Stock Beijing Inquiry

82-22-4 / 1-[(9,10-dioxoanthracen-1-yl)amino]anthracene-9,10-dione

Standard CAS: 82-22-4 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
82-22-4
Multi CAS
No
Molecular Formula
C28H15NO4
Molecular Weight
429.400000
Exact Mass
429.100108
InChI
InChI=1S/C28H15NO4/c30-25-15-7-1-3-9-17(15)27(32)23-19(25)11-5-13-21(23)29-22-14-6-12-20-24(22)28(33)18-10-4-2-8-16(18)26(20)31/h1-14,29H
InChIKey
WITKIIIPSSFHST-UHFFFAOYSA-N

Physical Properties

Physical Description
Deep red or lustrous coppery red solid; [Merck Index] Dark red powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
24
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
122.78
TPSA
80.31

LogP / Solubility

WLOGP
4.98
MLOGP
4.41
XLogP3
5.9
Consensus LogP
5.1
Log S (ESOL)
-6.05
Class (ESOL)
Insoluble
Log S (Ali)
-6.68
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.83
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.8

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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