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CAS 117-12-4 Anthrarufin molecular structure lightbox
CAS RN: 117-12-4

Anthrarufin

Product Availability

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12 package records11 with current stock4 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251127 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong, Chongqing, Guangdong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251006 100g In stock Inquiry
Batchno.20250617 10g In stock Inquiry
Batchno.20250112 25g In stock Inquiry
Batchno.20251227 500g Out of stock Inquiry
Batchno.20250904 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260417 100g In stock Shanghai Inquiry
Batchno.20250924 1kg In stock Shanghai Inquiry
Batchno.20250808 25g In stock Shanghai, Chengdu Inquiry
Batchno.20250617 500g In stock Shanghai, Wuhan Inquiry
Batchno.20250712 5g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251222 5g / 25g / 100g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-016822
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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: 100g
  • Available purity: tech. 85%
  • 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 117-12-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g tech. 85% 0 Out of Stock Beijing Inquiry

117-12-4 / 1,5-dihydroxyanthracene-9,10-dione

Anthrarufin | 1,5-DIHYDROXYANTHRAQUINONE | 1,5-dihydroxyanthracene-9,10-dione

Standard CAS: 117-12-4 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
117-12-4
Multi CAS
Yes
Molecular Formula
C14H8O4
Molecular Weight
240.210000
Exact Mass
240.042259
SMILES
C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C(=CC=C3)O
InChI
InChI=1S/C14H8O4/c15-9-5-1-3-7-11(9)14(18)8-4-2-6-10(16)12(8)13(7)17/h1-6,15-16H
InChIKey
JPICKYUTICNNNJ-UHFFFAOYSA-N
Synonyms
Anthrarufin 1,5-DIHYDROXYANTHRAQUINONE 1,5-dihydroxyanthracene-9,10-dione 9,10-Anthracenedione, 1,5-dihydroxy- 1,5-Dihydroxyanthrachinon

Physical Properties

Physical Description
Green to yellow solid; [Merck Index] Yellow powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
H-bond acceptors
4
H-bond donors
2
Molar refractivity
63.08
TPSA
74.6

LogP / Solubility

WLOGP
1.87
MLOGP
1.65
XLogP3
3.7
Consensus LogP
2.41
Log S (ESOL)
-3
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.88
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.78
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.86

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (97.5%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (97.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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