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CAS 796-42-9 AS-8351 molecular structure lightbox
CAS RN: 796-42-9

AS-8351

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6 package records6 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250328 100mg In stock Inquiry
Batchno.20250130 25mg In stock Inquiry
Batchno.20250912 50mg In stock Inquiry
Batchno.20250621 5mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250708 1ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250221 50mg / 100mg Confirm by inquiry Shanghai Inquiry
  • Product code: ICTA3339
  • Purity/Analytical Methods: >98.0%(T)(HPLC)
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796-42-9 / N-[(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-4-carboxamide

Standard CAS: 796-42-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
796-42-9
Multi CAS
Yes
Molecular Formula
C17H13N3O2
Molecular Weight
291.300000
Exact Mass
291.100777
InChI
InChI=1S/C17H13N3O2/c21-16-6-5-12-3-1-2-4-14(12)15(16)11-19-20-17(22)13-7-9-18-10-8-13/h1-11,21H,(H,20,22)
InChIKey
WQSHHAVECQJKLX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
16
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
84.91
TPSA
74.58

LogP / Solubility

WLOGP
2.7
MLOGP
2.39
XLogP3
2.7
Consensus LogP
2.6
Log S (ESOL)
-3.69
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.9
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.16
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.58

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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