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CAS 13025-99-5 4-Pyridinecarboxylicacid, 2-(4-pyridinylmethylene)hydrazide molecular structure lightbox
CAS RN: 13025-99-5

4-Pyridinecarboxylicacid, 2-(4-pyridinylmethylene)hydrazide

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250430 100mg In stock Shanghai Inquiry
Batchno.20250323 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
Batchno.20250531 1g In stock Shanghai Inquiry
Batchno.20260605 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20250211 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS13025-99-5
  • Purity/Analytical Methods: >99.0%
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13025-99-5 / N-(pyridin-4-ylmethylideneamino)pyridine-4-carboxamide

Standard CAS: 13025-99-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
13025-99-5
Multi CAS
No
Molecular Formula
C12H10N4O
Molecular Weight
226.230000
Exact Mass
226.085461
SMILES
C1=CN=CC=C1C=NNC(=O)C2=CC=NC=C2
InChI
InChI=1S/C12H10N4O/c17-12(11-3-7-14-8-4-11)16-15-9-10-1-5-13-6-2-10/h1-9H,(H,16,17)
InChIKey
RVAFAIOWXGOYMP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
63.53
TPSA
67.24

LogP / Solubility

WLOGP
1.24
MLOGP
1.09
XLogP3
0.7
Consensus LogP
1.01
Log S (ESOL)
-2.35
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.31
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.52
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)
-3.22

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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