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CAS 54009-54-0 2-hydroxy-1-naphthalaldehyde salicyloylhydrazone molecular structure lightbox
CAS RN: 54009-54-0

2-hydroxy-1-naphthalaldehyde salicyloylhydrazone

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250528 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS54009-54-0
  • Purity/Analytical Methods: >99.0%
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54009-54-0 / 2-hydroxy-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide

Standard CAS: 54009-54-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
54009-54-0
Multi CAS
Yes
Molecular Formula
C18H14N2O3
Molecular Weight
306.300000
Exact Mass
306.100442
InChI
InChI=1S/C18H14N2O3/c21-16-8-4-3-7-14(16)18(23)20-19-11-15-13-6-2-1-5-12(13)9-10-17(15)22/h1-11,21-22H,(H,20,23)/b19-11+
InChIKey
ZZSJOLDICPVVAV-YBFXNURJSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
16
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
3
Molar refractivity
88.78
TPSA
81.92

LogP / Solubility

WLOGP
3.01
MLOGP
2.67
XLogP3
3.9
Consensus LogP
3.19
Log S (ESOL)
-3.96
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.25
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.51
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.45

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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