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CAS 5430-45-5 5-CHLOROISOQUINOLINE molecular structure lightbox
CAS RN: 5430-45-5

5-CHLOROISOQUINOLINE

Product Availability

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2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250210 1g In stock Shanghai Inquiry
Batchno.20250426 250mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-161933
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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: 5g
  • 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 5430-45-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Shenzhen Inquiry

5430-45-5 / 5-chloroisoquinoline

Standard CAS: 5430-45-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5430-45-5
Multi CAS
Yes
Molecular Formula
C9H6CLN
Molecular Weight
163.600000
Exact Mass
163.018877
InChI
InChI=1S/C9H6ClN/c10-9-3-1-2-7-6-11-5-4-8(7)9/h1-6H
InChIKey
PJHSMEMFNSINJE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
10
H-bond acceptors
1
Molar refractivity
46.75
TPSA
12.89

LogP / Solubility

WLOGP
2.89
MLOGP
2.54
XLogP3
2.7
Consensus LogP
2.71
Log S (ESOL)
-3.35
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.99
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.12
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.67

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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