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CAS 900515-40-4 5-(Quinolin-8-yl)furan-2-carbaldehyde molecular structure lightbox
CAS RN: 900515-40-4

5-(Quinolin-8-yl)furan-2-carbaldehyde

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250709 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: LINQ913836
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900515-40-4 / 5-quinolin-8-ylfuran-2-carbaldehyde

Standard CAS: 900515-40-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
900515-40-4
Multi CAS
No
Molecular Formula
C14H9NO2
Molecular Weight
223.230000
Exact Mass
223.063329
InChI
InChI=1S/C14H9NO2/c16-9-11-6-7-13(17-11)12-5-1-3-10-4-2-8-15-14(10)12/h1-9H
InChIKey
XNJAADBRBPGQEQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
15
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
64.83
TPSA
43.1

LogP / Solubility

WLOGP
3.31
MLOGP
2.91
XLogP3
2.7
Consensus LogP
2.97
Log S (ESOL)
-3.83
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.78
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.1
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.73

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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