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CAS 4363-94-4 6-Methoxyquinoline-4-carbaldehyde molecular structure lightbox
CAS RN: 4363-94-4

6-Methoxyquinoline-4-carbaldehyde

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250216 50mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS4363-94-4
  • Purity/Analytical Methods: >99.0%
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4363-94-4 / 6-methoxyquinoline-4-carbaldehyde

Standard CAS: 4363-94-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
4363-94-4
Multi CAS
No
Molecular Formula
C11H9NO2
Molecular Weight
187.190000
Exact Mass
187.063329
InChI
InChI=1S/C11H9NO2/c1-14-9-2-3-11-10(6-9)8(7-13)4-5-12-11/h2-7H,1H3
InChIKey
PDGKZDPIWAKVLH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.09
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
53.68
TPSA
39.19

LogP / Solubility

WLOGP
2.06
MLOGP
1.81
XLogP3
1.6
Consensus LogP
1.82
Log S (ESOL)
-2.69
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.58
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.82
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)
-2.4

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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