CAS RN: 324751-00-0

3-(Quinolin-2-yl)benzaldehyde

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250414 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS324751-00-0
  • Purity/Analytical Methods: >99.0%
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324751-00-0 / 3-quinolin-2-ylbenzaldehyde

Standard CAS: 324751-00-0 Multi CAS: Yes

Basic Information

CAS
324751-00-0
Multi CAS
Yes
Molecular Formula
C16H11NO
Molecular Weight
233.260000
Exact Mass
233.084064
InChI
InChI=1S/C16H11NO/c18-11-12-4-3-6-14(10-12)16-9-8-13-5-1-2-7-15(13)17-16/h1-11H
InChIKey
IBPRTGBCAVNVDQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
16
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
72.57
TPSA
29.96

LogP / Solubility

WLOGP
3.71
MLOGP
3.27
XLogP3
3.4
Consensus LogP
3.46
Log S (ESOL)
-4.15
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.15
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.5
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.51

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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