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CAS 885-23-4 9-acridinecarboxaldehyde molecular structure lightbox
CAS RN: 885-23-4

9-acridinecarboxaldehyde

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260415 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS885-23-4
  • Purity/Analytical Methods: >99.0%
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885-23-4 / acridine-9-carbaldehyde

Standard CAS: 885-23-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
885-23-4
Multi CAS
Yes
Molecular Formula
C14H9NO
Molecular Weight
207.230000
Exact Mass
207.068414
InChI
InChI=1S/C14H9NO/c16-9-12-10-5-1-3-7-13(10)15-14-8-4-2-6-11(12)14/h1-9H
InChIKey
ISOCABSXIKQOOV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
14
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
64.64
TPSA
29.96

LogP / Solubility

WLOGP
3.2
MLOGP
2.82
XLogP3
3
Consensus LogP
3.01
Log S (ESOL)
-3.72
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.57
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.78
Class (SILICOS-IT)
Poorly 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)
-1.71

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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