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CAS 53987-60-3 1,3-DIBROMOISOQUINOLINE molecular structure lightbox
CAS RN: 53987-60-3

1,3-DIBROMOISOQUINOLINE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260302 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai, Shandong 8-10 business days Inquiry
  • Product code: SSC-161451
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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, 100g
  • 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 53987-60-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >95% 1 In Stock Shanghai Inquiry
1g >95% 1 In Stock Beijing Inquiry
5g >95% 1 In Stock Hong Kong Inquiry
10g >95% 1 In Stock Shenzhen Inquiry
25g >95% 0 Out of Stock Beijing Inquiry
100g >95% 0 Out of Stock Beijing Inquiry

53987-60-3 / 1,3-dibromoisoquinoline

Standard CAS: 53987-60-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
53987-60-3
Multi CAS
No
Molecular Formula
C9H5BR2N
Molecular Weight
286.950000
Exact Mass
286.876820
InChI
InChI=1S/C9H5Br2N/c10-8-5-6-3-1-2-4-7(6)9(11)12-8/h1-5H
InChIKey
JXDSEHLVLUASEI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
1
Molar refractivity
57.14
TPSA
12.89

LogP / Solubility

WLOGP
3.76
MLOGP
3.32
XLogP3
4.2
Consensus LogP
3.76
Log S (ESOL)
-4.6
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.63
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.65
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
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)
-1.8

Drug-likeness / Medicinal Chemistry

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

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