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CAS 4637-59-6 4-Chloroquinoline 1-Oxide molecular structure lightbox
CAS RN: 4637-59-6

4-Chloroquinoline 1-Oxide

  • Product code: SSC-153816
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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: ≥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 4637-59-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

4637-59-6 / 4-chloro-1-oxidoquinolin-1-ium

Standard CAS: 4637-59-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
4637-59-6
Multi CAS
No
Molecular Formula
C9H6CLNO
Molecular Weight
179.600000
Exact Mass
179.013792
InChI
InChI=1S/C9H6ClNO/c10-8-5-6-11(12)9-4-2-1-3-7(8)9/h1-6H
InChIKey
LRMGFEQLZDIREV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
1
Molar refractivity
47.92
TPSA
26.94

LogP / Solubility

WLOGP
2.13
MLOGP
1.87
XLogP3
1.1
Consensus LogP
1.7
Log S (ESOL)
-2.91
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.57
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.59
Class (SILICOS-IT)
Moderately 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)
-2.31

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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