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CAS 117-78-2 Anthraquinone-2-carboxylic Acid molecular structure lightbox
CAS RN: 117-78-2

Anthraquinone-2-carboxylic Acid

Product Availability

Choose a grade to view its available package options.

7 package records7 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250928 1ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250809 100g In stock Shanghai Inquiry
Batchno.20250613 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20251128 25g In stock Shanghai, Chengdu Inquiry
Batchno.20250226 500g In stock Shanghai Inquiry
Batchno.20260422 5g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250211 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Chongqing, Hebei, Shandong, Guangdong Inquiry
  • Product code: SSC-016832
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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: 25g
  • Available purity: ≥97%
  • 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 117-78-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥97% 0 Out of Stock Shanghai Inquiry

117-78-2 / 9,10-dioxoanthracene-2-carboxylic acid

2-Anthraquinonecarboxylic acid | 2-Anthracenecarboxylic acid, 9,10-dihydro-9,10-dioxo- | 2-Carboxyl-9,10-anthraquinone

Standard CAS: 117-78-2 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
117-78-2
Multi CAS
Yes
Molecular Formula
C15H8O4
Molecular Weight
252.220000
Exact Mass
252.042259
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O
InChI
InChI=1S/C15H8O4/c16-13-9-3-1-2-4-10(9)14(17)12-7-8(15(18)19)5-6-11(12)13/h1-7H,(H,18,19)
InChIKey
ASDLSKCKYGVMAI-UHFFFAOYSA-N
Synonyms
2-Anthraquinonecarboxylic acid 2-Anthracenecarboxylic acid, 9,10-dihydro-9,10-dioxo- 2-Carboxyl-9,10-anthraquinone 9,10-Anthraquinone 2-carboxylic acid beta-Anthraquinonecarboxylic acid

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
66.71
TPSA
71.44

LogP / Solubility

WLOGP
2.16
MLOGP
1.91
XLogP3
3
Consensus LogP
2.36
Log S (ESOL)
-3.17
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.19
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.21
Class (SILICOS-IT)
Poorly 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)
-2.72

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Health Hazard
Signal
Warning
GHS Hazard Statements
H341 (66.7%): Suspected of causing genetic defects [Warning Germ cell mutagenicity] H351 (66.7%): Suspected of causing cancer [Warning Carcinogenicity] H361 (66.7%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]
Precautionary Statement Codes
P203, P280, P318, P405, and P501

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