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CAS 82-45-1 1-Aminoanthraquinone molecular structure lightbox
CAS RN: 82-45-1

1-Aminoanthraquinone

Product Availability

Choose a grade to view its available package options.

10 package records10 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251224 100g In stock Inquiry
Batchno.20260419 2.5kg In stock Inquiry
Batchno.20250112 25g In stock Inquiry
Batchno.20250209 500g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250930 100g In stock Shanghai, Shandong Inquiry
Batchno.20250629 25g In stock Shanghai, Guangdong Inquiry
Batchno.20250406 500g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250629 100g In stock Shanghai, Shandong, Hebei Inquiry
Batchno.20250321 10g In stock Shanghai, Shandong, Guangdong Inquiry
Batchno.20250823 500g In stock Shanghai Inquiry
  • Product code: SSC-190254
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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: 500g
  • 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 82-45-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
500g ≥95% 0 Out of Stock Shanghai Inquiry

82-45-1 / 1-aminoanthracene-9,10-dione

Standard CAS: 82-45-1 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
82-45-1
Multi CAS
Yes
Molecular Formula
C14H9NO2
Molecular Weight
223.230000
Exact Mass
223.063329
InChI
InChI=1S/C14H9NO2/c15-11-7-3-6-10-12(11)14(17)9-5-2-1-4-8(9)13(10)16/h1-7H,15H2
InChIKey
KHUFHLFHOQVFGB-UHFFFAOYSA-N

Physical Properties

Physical Description
Ruby-red solid; [Merck Index] Dark red to brown crystalline powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
H-bond acceptors
3
H-bond donors
1
Molar refractivity
64.16
TPSA
60.16

LogP / Solubility

WLOGP
2.04
MLOGP
1.8
XLogP3
3.2
Consensus LogP
2.35
Log S (ESOL)
-3.03
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.87
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.81
Class (SILICOS-IT)
Moderately 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)
-2.63

Drug-likeness / Medicinal Chemistry

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

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