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CAS 873653-76-0 5-Quinazolinecarboxaldehyde (9CI) molecular structure lightbox
CAS RN: 873653-76-0

5-Quinazolinecarboxaldehyde (9CI)

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250306 50mg / 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS873653-76-0
  • Purity/Analytical Methods: >99.0%
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873653-76-0 / quinazoline-5-carbaldehyde

Standard CAS: 873653-76-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
873653-76-0
Multi CAS
No
Molecular Formula
C9H6N2O
Molecular Weight
158.160000
Exact Mass
158.048013
InChI
InChI=1S/C9H6N2O/c12-5-7-2-1-3-9-8(7)4-10-6-11-9/h1-6H
InChIKey
QEAFRGBHKFLHGU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
44.93
TPSA
42.85

LogP / Solubility

WLOGP
1.44
MLOGP
1.26
XLogP3
1
Consensus LogP
1.23
Log S (ESOL)
-2.28
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.9
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.01
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.66

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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