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CAS 561064-15-1 2,6-Dibromo-9,10-di(2-naphthyl)anthracene molecular structure lightbox
CAS RN: 561064-15-1

2,6-Dibromo-9,10-di(2-naphthyl)anthracene

  • Product code: SSC-164067
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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: ≥95%
  • 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 561064-15-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

561064-15-1 / 2,6-dibromo-9,10-dinaphthalen-2-ylanthracene

Standard CAS: 561064-15-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
561064-15-1
Multi CAS
No
Molecular Formula
C34H20BR2
Molecular Weight
588.300000
Exact Mass
587.991130
InChI
InChI=1S/C34H20Br2/c35-27-14-16-30-31(19-27)33(25-11-9-21-5-1-3-7-23(21)17-25)29-15-13-28(36)20-32(29)34(30)26-12-10-22-6-2-4-8-24(22)18-26/h1-20H
InChIKey
WQURYVBAXSWGDX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
36
Aromatic heavy atom count
34
Rotatable bonds
2
Molar refractivity
162.74
TPSA
0.0000

LogP / Solubility

WLOGP
11.16
MLOGP
9.87
XLogP3
11.6
Consensus LogP
10.88
Log S (ESOL)
-11.08
Class (ESOL)
Insoluble
Log S (Ali)
-12.44
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.99
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.61

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6

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