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CAS 66728-98-1 4-Bromo-1-chloroisoquinoline molecular structure lightbox
CAS RN: 66728-98-1

4-Bromo-1-chloroisoquinoline

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260210 1g / 5g / 25g Out of stock 5-7 business days Inquiry
  • Product code: SSC-176404
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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: ≥97%
  • 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 66728-98-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥97% 5 In Stock Beijing Inquiry
1g ≥97% 5 In Stock Shanghai Inquiry
5g ≥97% 5 In Stock Beijing Inquiry
10g ≥97% 5 In Stock Hong Kong Inquiry
25g ≥97% 5 In Stock Hong Kong Inquiry
100g ≥97% 5 In Stock Shenzhen Inquiry

66728-98-1 / 4-bromo-1-chloroisoquinoline

Standard CAS: 66728-98-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
66728-98-1
Multi CAS
No
Molecular Formula
C9H5BRCLN
Molecular Weight
242.500000
Exact Mass
240.929390
InChI
InChI=1S/C9H5BrClN/c10-8-5-12-9(11)7-4-2-1-3-6(7)8/h1-5H
InChIKey
HRWILRGBDZGABZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
1
Molar refractivity
54.45
TPSA
12.89

LogP / Solubility

WLOGP
3.65
MLOGP
3.22
XLogP3
3.8
Consensus LogP
3.56
Log S (ESOL)
-4.26
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.18
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.27
Class (SILICOS-IT)
Slightly 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)
-1.61

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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