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CAS 1033330-27-6 7-BroMo-4H-isoquinoline-1,3-dione molecular structure lightbox
CAS RN: 1033330-27-6

7-BroMo-4H-isoquinoline-1,3-dione

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250928 100mg / 250mg / 500mg / 1g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250925 100mg In stock Shanghai, Tianjin Inquiry
Batchno.20251001 1g In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20250811 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20260117 5g Out of stock Inquiry
  • Product code: SSC-004812
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1033330-27-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1033330-27-6 / 7-bromo-4H-isoquinoline-1,3-dione

7-BROMOISOQUINOLINE-1,3(2H,4H)-DIONE | 7-BROMO-4H-ISOQUINOLINE-1,3-DIONE | MFCD12756049

Standard CAS: 1033330-27-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1033330-27-6
Multi CAS
No
Molecular Formula
C9H6BrNO2
Molecular Weight
240.050000
Exact Mass
238.958190
SMILES
C1C2=C(C=C(C=C2)Br)C(=O)NC1=O
InChI
InChI=1S/C9H6BrNO2/c10-6-2-1-5-3-8(12)11-9(13)7(5)4-6/h1-2,4H,3H2,(H,11,12,13)
InChIKey
KGFZTGLQLRNJLX-UHFFFAOYSA-N
Synonyms
7-BROMOISOQUINOLINE-1,3(2H,4H)-DIONE 7-BROMO-4H-ISOQUINOLINE-1,3-DIONE MFCD12756049 7-BROMO-1,3(2H,4H)-ISOQUINOLINEDIONE SCHEMBL22904167

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.11
H-bond acceptors
2
H-bond donors
1
Molar refractivity
50.32
TPSA
46.17

LogP / Solubility

WLOGP
1.26
MLOGP
1.12
XLogP3
1.3
Consensus LogP
1.23
Log S (ESOL)
-2.46
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.44
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.27
Class (SILICOS-IT)
Moderately 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)
-3.29

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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