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CAS 59394-28-4 8-CHLORO-QUINOLINE-2-CARBALDEHYDE molecular structure lightbox
CAS RN: 59394-28-4

8-CHLORO-QUINOLINE-2-CARBALDEHYDE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250817 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS59394-28-4
  • Purity/Analytical Methods: >99.0%
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59394-28-4 / 8-chloroquinoline-2-carbaldehyde

Standard CAS: 59394-28-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
59394-28-4
Multi CAS
No
Molecular Formula
C10H6CLNO
Molecular Weight
191.610000
Exact Mass
191.013792
InChI
InChI=1S/C10H6ClNO/c11-9-3-1-2-7-4-5-8(6-13)12-10(7)9/h1-6H
InChIKey
RQWZBYLWUUPXJE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
52.14
TPSA
29.96

LogP / Solubility

WLOGP
2.7
MLOGP
2.38
XLogP3
2.6
Consensus LogP
2.56
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.08
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.27
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)
-1.97

Drug-likeness / Medicinal Chemistry

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

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