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CAS 2569-58-6 1-(4-Pyridinyl)-2-phenyldiazene molecular structure lightbox
CAS RN: 2569-58-6

1-(4-Pyridinyl)-2-phenyldiazene

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260517 100mg / 250mg / 1g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: starshine_CAS2569-58-6
  • Purity/Analytical Methods: >99.0%
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2569-58-6 / phenyl(pyridin-4-yl)diazene

Standard CAS: 2569-58-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2569-58-6
Multi CAS
No
Molecular Formula
C11H9N3
Molecular Weight
183.210000
Exact Mass
183.079647
SMILES
C1=CC=C(C=C1)N=NC2=CC=NC=C2
InChI
InChI=1S/C11H9N3/c1-2-4-10(5-3-1)13-14-11-6-8-12-9-7-11/h1-9H
InChIKey
STGZUKHALNSQAG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
54.86
TPSA
37.61

LogP / Solubility

WLOGP
3.5
MLOGP
3.08
XLogP3
2.6
Consensus LogP
3.06
Log S (ESOL)
-3.68
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.59
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.99
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.35

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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