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CAS 26254-35-3 5-bromoacenaphthylene-1,2-dione molecular structure lightbox
CAS RN: 26254-35-3

5-bromoacenaphthylene-1,2-dione

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260516 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-123560
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.25g, 1g, 5g, 10g, 25g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 26254-35-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >95% 1 In Stock Hong Kong Inquiry
1g >95% 1 In Stock Shenzhen Inquiry
5g >95% 1 In Stock Shanghai Inquiry
10g >95% 1 In Stock Hong Kong Inquiry
25g >95% 0 Out of Stock Shanghai Inquiry

26254-35-3 / 5-bromoacenaphthylene-1,2-dione

Standard CAS: 26254-35-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
26254-35-3
Multi CAS
No
Molecular Formula
C12H5BrO2
Molecular Weight
261.070000
Exact Mass
259.947290
SMILES
C1=CC2=C(C=CC3=C2C(=C1)C(=O)C3=O)Br
InChI
InChI=1S/C12H5BrO2/c13-9-5-4-8-10-6(9)2-1-3-7(10)11(14)12(8)15/h1-5H
InChIKey
PHPQHHFMRUWUJG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
H-bond acceptors
2
Molar refractivity
60.31
TPSA
34.14

LogP / Solubility

WLOGP
2.98
MLOGP
2.63
XLogP3
2.6
Consensus LogP
2.74
Log S (ESOL)
-3.83
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.85
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.83
Class (SILICOS-IT)
Poorly 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)
-2.2

Drug-likeness / Medicinal Chemistry

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

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