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CAS 57-97-6 7,12-Dimethylbenz[a]anthracene molecular structure lightbox
CAS RN: 57-97-6

7,12-Dimethylbenz[a]anthracene

Product Availability

Choose a grade to view its available package options.

8 package records8 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250424 100mg In stock Inquiry
Batchno.20260621 250mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251004 100mg In stock Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
Batchno.20260228 100mg In stock Shanghai, Shenzhen Inquiry
Batchno.20250202 1g In stock Shanghai, Shandong, Chongqing Inquiry
Batchno.20250929 1g In stock Shanghai Inquiry
Batchno.20250723 250mg In stock Shanghai Inquiry
Batchno.20260302 500mg In stock Shanghai, Chongqing, Hebei Inquiry
  • Product code: SSC-165086
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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: ≥98%
  • 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 57-97-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Beijing Inquiry

57-97-6 / 7,12-dimethylbenzo[a]anthracene

Standard CAS: 57-97-6 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
57-97-6
Multi CAS
Yes
Molecular Formula
C20H16
Molecular Weight
256.300000
Exact Mass
256.125201
InChI
InChI=1S/C20H16/c1-13-16-8-5-6-9-17(16)14(2)20-18(13)12-11-15-7-3-4-10-19(15)20/h3-12H,1-2H3
InChIKey
ARSRBNBHOADGJU-UHFFFAOYSA-N

Physical Properties

Melting Point
252 to 253 °F (NTP, 1992) 123 °C
Physical Description
7,12-dimethylbenz[a]anthracene appears as yellow to greenish-yellow crystals or a yellow solid. Odorless. Maximum fluorescence at 440 nm. Bluish-violet fluorescence in UV light. (NTP, 1992) Solid with a greenish-yellow tinge; [HSDB] Greenish-yellow or yellow odorless solid; [CAMEO] Light yellow powder
Appearance
Plates, leaflets from acetone-alcohol, faint greenish-yellow tinge Pale yellow plates from alcohol, acetic acid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
18
Fraction Csp3
0.1
Molar refractivity
88.43
TPSA
0.0000

LogP / Solubility

WLOGP
5.76
MLOGP
5.08
XLogP3
5.8
Consensus LogP
5.55
Log S (ESOL)
-5.73
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.82
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.11
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.19

Drug-likeness / Medicinal Chemistry

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

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