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CAS 1501083-37-9 5-Bromo-1-chloro-8-fluoroisoquinoline molecular structure lightbox
CAS RN: 1501083-37-9

5-Bromo-1-chloro-8-fluoroisoquinoline

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250724 50mg / 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-060079
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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 1501083-37-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1501083-37-9 / 5-bromo-1-chloro-8-fluoroisoquinoline

Standard CAS: 1501083-37-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1501083-37-9
Multi CAS
No
Molecular Formula
C9H4BrClFN
Molecular Weight
260.490000
Exact Mass
258.919970
SMILES
C1=CC(=C2C=CN=C(C2=C1F)Cl)Br
InChI
InChI=1S/C9H4BrClFN/c10-6-1-2-7(12)8-5(6)3-4-13-9(8)11/h1-4H
InChIKey
WWUXGJPQCBYYDG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
H-bond acceptors
1
Molar refractivity
54.41
TPSA
12.89

LogP / Solubility

WLOGP
3.79
MLOGP
3.34
XLogP3
3.9
Consensus LogP
3.68
Log S (ESOL)
-4.41
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.43
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.5
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)
-1.62

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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