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CAS 56670-83-8 1-Hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic Acid molecular structure lightbox
CAS RN: 56670-83-8

1-Hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic Acid

  • Product code: SSC-164701
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 0.1g, 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 56670-83-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 2 In Stock Hong Kong Inquiry
0.1g ≥95% 0 Out of Stock Beijing Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

56670-83-8 / 1-hydroxy-9,10-dioxoanthracene-2-sulfonic acid

Standard CAS: 56670-83-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
56670-83-8
Multi CAS
No
Molecular Formula
C14H8O6S
Molecular Weight
304.280000
Exact Mass
304.004159
InChI
InChI=1S/C14H8O6S/c15-12-7-3-1-2-4-8(7)13(16)11-9(12)5-6-10(14(11)17)21(18,19)20/h1-6,17H,(H,18,19,20)
InChIKey
OAJSTIHCWHYVKO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
2
Molar refractivity
71.23
TPSA
108.74

LogP / Solubility

WLOGP
1.41
MLOGP
1.26
XLogP3
1.8
Consensus LogP
1.49
Log S (ESOL)
-2.97
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.08
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.93
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.57

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
2.5

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