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CAS 1428651-86-8 4-BROMO-6,7-DIHYDROISOQUINOLIN-8(5H)-ONE(WXC07920) molecular structure lightbox
CAS RN: 1428651-86-8

4-BROMO-6,7-DIHYDROISOQUINOLIN-8(5H)-ONE(WXC07920)

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260620 100mg / 250mg / 500mg / 1g / 5g / 10g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-054114
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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, 5g, 10g, 25g, 100g
  • Available purity: >96%
  • Inventory rows with stock: 12
  • 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 1428651-86-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 5 In Stock Shenzhen Inquiry
0.1g >96% 5 In Stock Shenzhen Inquiry
0.25g -- 5 In Stock Hong Kong Inquiry
0.25g >96% 5 In Stock Hong Kong Inquiry
1g -- 5 In Stock Hong Kong Inquiry
1g >96% 5 In Stock Beijing Inquiry
5g -- 5 In Stock Hong Kong Inquiry
5g >96% 5 In Stock Hong Kong Inquiry
10g -- 5 In Stock Shenzhen Inquiry
10g >96% 5 In Stock Shanghai Inquiry
25g -- 5 In Stock Shanghai Inquiry
25g >96% 5 In Stock Hong Kong Inquiry
100g -- 0 Out of Stock Hong Kong Inquiry

1428651-86-8 / 4-bromo-6,7-dihydro-5H-isoquinolin-8-one

Standard CAS: 1428651-86-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1428651-86-8
Multi CAS
No
Molecular Formula
C9H8BrNO
Molecular Weight
226.070000
Exact Mass
224.978930
SMILES
C1CC2=C(C=NC=C2C(=O)C1)Br
InChI
InChI=1S/C9H8BrNO/c10-8-5-11-4-7-6(8)2-1-3-9(7)12/h4-5H,1-3H2
InChIKey
FACZUAXPWHUPAL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
H-bond acceptors
2
Molar refractivity
49.21
TPSA
29.96

LogP / Solubility

WLOGP
2.36
MLOGP
2.08
XLogP3
1.6
Consensus LogP
2.01
Log S (ESOL)
-3.1
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.12
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.09
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.42

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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