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CAS 476492-85-0 7-bromo-3-chloro-1,2-dihydroisoquinolin-1-one molecular structure lightbox
CAS RN: 476492-85-0

7-bromo-3-chloro-1,2-dihydroisoquinolin-1-one

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250226 1g / 5g Out of stock 15 business days Inquiry
  • Product code: SSC-154607
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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
  • 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 476492-85-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 3 In Stock Beijing Inquiry
0.25g ≥95% 3 In Stock Hong Kong Inquiry
1g ≥95% 2 In Stock Shanghai Inquiry
5g ≥95% 1 In Stock Beijing Inquiry

476492-85-0 / 7-bromo-3-chloro-2H-isoquinolin-1-one

Standard CAS: 476492-85-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
476492-85-0
Multi CAS
No
Molecular Formula
C9H5BRCLNO
Molecular Weight
258.500000
Exact Mass
256.924300
InChI
InChI=1S/C9H5BrClNO/c10-6-2-1-5-3-8(11)12-9(13)7(5)4-6/h1-4H,(H,12,13)
InChIKey
VLEPMSIHOVKMCS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
H-bond acceptors
1
H-bond donors
1
Molar refractivity
57.28
TPSA
32.86

LogP / Solubility

WLOGP
2.94
MLOGP
2.6
XLogP3
2.9
Consensus LogP
2.81
Log S (ESOL)
-3.87
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.81
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.78
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)
-2.21

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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