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CAS 56250-81-8 2-Amino-3-nitro-9,10-anthracenedione molecular structure lightbox
CAS RN: 56250-81-8

2-Amino-3-nitro-9,10-anthracenedione

  • Product code: SSC-164235
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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: ≥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 56250-81-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

56250-81-8 / 2-amino-3-nitroanthracene-9,10-dione

Standard CAS: 56250-81-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
56250-81-8
Multi CAS
No
Molecular Formula
C14H8N2O4
Molecular Weight
268.220000
Exact Mass
268.048407
InChI
InChI=1S/C14H8N2O4/c15-11-5-9-10(6-12(11)16(19)20)14(18)8-4-2-1-3-7(8)13(9)17/h1-6H,15H2
InChIKey
WTCXIALFOUPXPZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
70.82
TPSA
103.3

LogP / Solubility

WLOGP
1.95
MLOGP
1.73
XLogP3
2.6
Consensus LogP
2.09
Log S (ESOL)
-3.11
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.17
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.14
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.97

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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