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CAS 1368066-64-1 Isoquinoline, 5-bromo-1-chloro-6-fluoro- molecular structure lightbox
CAS RN: 1368066-64-1

Isoquinoline, 5-bromo-1-chloro-6-fluoro-

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250717 50mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-045887
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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: ＞97%
  • 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 1368066-64-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

1368066-64-1 / 5-bromo-1-chloro-6-fluoroisoquinoline

Standard CAS: 1368066-64-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1368066-64-1
Multi CAS
No
Molecular Formula
C9H4BrClFN
Molecular Weight
260.490000
Exact Mass
258.919970
SMILES
C1=CC(=C(C2=C1C(=NC=C2)Cl)Br)F
InChI
InChI=1S/C9H4BrClFN/c10-8-5-3-4-13-9(11)6(5)1-2-7(8)12/h1-4H
InChIKey
ZWNHILQAYRZKGO-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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