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CAS 845457-53-6 9-Bromo-10-(9-phenanthryl)anthracene molecular structure lightbox
CAS RN: 845457-53-6

9-Bromo-10-(9-phenanthryl)anthracene

Product Availability

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5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250608 1g In stock Inquiry
Batchno.20251130 25g In stock Inquiry
Batchno.20260502 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251121 1g Out of stock Inquiry
Batchno.20260326 200mg / 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-192059
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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 845457-53-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Shanghai Inquiry

845457-53-6 / 9-bromo-10-phenanthren-9-ylanthracene

Standard CAS: 845457-53-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
845457-53-6
Multi CAS
No
Molecular Formula
C28H17BR
Molecular Weight
433.300000
Exact Mass
432.051360
InChI
InChI=1S/C28H17Br/c29-28-24-15-7-5-13-22(24)27(23-14-6-8-16-25(23)28)26-17-18-9-1-2-10-19(18)20-11-3-4-12-21(20)26/h1-17H
InChIKey
OBIXPXSRUDGFLE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
28
Rotatable bonds
1
Molar refractivity
129.6
TPSA
0.0000

LogP / Solubility

WLOGP
8.73
MLOGP
7.71
XLogP3
9.2
Consensus LogP
8.55
Log S (ESOL)
-8.67
Class (ESOL)
Insoluble
Log S (Ali)
-9.42
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.84
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.83

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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