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CAS 264921-97-3 [N-[1-[2-(2-Pyridylcarboxamido)phenyl]ethylidene]glycinato]nickel molecular structure lightbox
CAS RN: 264921-97-3

[N-[1-[2-(2-Pyridylcarboxamido)phenyl]ethylidene]glycinato]nickel

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260617 10mg / 50mg / 250mg Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: ICTP1738
  • Purity/Analytical Methods: >96.0%(T)
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264921-97-3 / nickel(2+);2-[1-[2-[[oxido(pyridin-2-yl)methylidene]amino]phenyl]ethylideneamino]acetate

Standard CAS: 264921-97-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
264921-97-3
Multi CAS
No
Molecular Formula
C16H13N3NiO3
Molecular Weight
353.990000
Exact Mass
353.031033
SMILES
CC(=NCC(=O)[O-])C1=CC=CC=C1N=C(C2=CC=CC=N2)[O-].[Ni+2]
InChI
InChI=1S/C16H15N3O3.Ni/c1-11(18-10-15(20)21)12-6-2-3-7-13(12)19-16(22)14-8-4-5-9-17-14;/h2-9H,10H2,1H3,(H,19,22)(H,20,21);/q;+2/p-2
InChIKey
SNANRKUUXQKAKV-UHFFFAOYSA-L

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.12
Rotatable bonds
5
H-bond acceptors
6
Molar refractivity
78.96
TPSA
100.8

LogP / Solubility

WLOGP
0.08
MLOGP
0.09
XLogP3
0.08
Consensus LogP
0.08
Log S (ESOL)
-2.14
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.52
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.62
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.82

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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