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CAS 2498-66-0 1,2-Benzanthraquinone molecular structure lightbox
CAS RN: 2498-66-0

1,2-Benzanthraquinone

Product Availability

Choose a grade to view its available package options.

3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250913 1g In stock Inquiry
Batchno.20251031 25g In stock Inquiry
Batchno.20250129 5g In stock Inquiry
  • Product code: SSC-120351
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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: 5g
  • 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 2498-66-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry

2498-66-0 / benzo[a]anthracene-7,12-dione

Standard CAS: 2498-66-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2498-66-0
Multi CAS
No
Molecular Formula
C18H10O2
Molecular Weight
258.300000
Exact Mass
258.068080
SMILES
C1=CC=C2C(=C1)C=CC3=C2C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C18H10O2/c19-17-13-7-3-4-8-14(13)18(20)16-12-6-2-1-5-11(12)9-10-15(16)17/h1-10H
InChIKey
LHMRXAIRPKSGDE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
16
H-bond acceptors
2
Molar refractivity
77.26
TPSA
34.14

LogP / Solubility

WLOGP
3.62
MLOGP
3.19
XLogP3
4.1
Consensus LogP
3.64
Log S (ESOL)
-4.31
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.29
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.34
Class (SILICOS-IT)
Slightly 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)
-1.73

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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