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CAS 52559-36-1 1H-Benz[de]isoquinoline-1,3(2H)-dione, 6-bromo-（WS204345） molecular structure lightbox
CAS RN: 52559-36-1

1H-Benz[de]isoquinoline-1,3(2H)-dione, 6-bromo-（WS204345）

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251225 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-159676
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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: 0.1g, 0.25g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 6
  • 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 52559-36-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 1 In Stock Beijing Inquiry
0.1g >95% 1 In Stock Shenzhen Inquiry
0.25g -- 1 In Stock Hong Kong Inquiry
0.25g >95% 1 In Stock Shanghai Inquiry
1g -- 1 In Stock Beijing Inquiry
1g >95% 1 In Stock Hong Kong Inquiry

52559-36-1 / 6-bromobenzo[de]isoquinoline-1,3-dione

Standard CAS: 52559-36-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
52559-36-1
Multi CAS
Yes
Molecular Formula
BC12H6O2Rn
Molecular Weight
276.080000
Exact Mass
274.958190
InChI
InChI=1S/C12H6BrNO2/c13-9-5-4-8-10-6(9)2-1-3-7(10)11(15)14-12(8)16/h1-5H,(H,14,15,16)
InChIKey
APBIDAXJCGEEIS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
10
H-bond acceptors
2
H-bond donors
1
Molar refractivity
63.44
TPSA
46.17

LogP / Solubility

WLOGP
2.49
MLOGP
2.2
XLogP3
2.7
Consensus LogP
2.46
Log S (ESOL)
-3.58
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.62
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.52
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.64

Drug-likeness / Medicinal Chemistry

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

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