Pigment Red 271
TL;DR: Pigment Red 271 (CAS 85958-80-1) is a chemical compound with molecular formula C19H13N5NiO3 and molecular weight 417.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-[1-azanidylidene-3-(methylamino)-3-oxoprop-1-en-2-yl]-2H-isoindol-1-yl]iminocarbamoyl]phenolate;nickel(2+)
Also Known As: Pigment Red 271, Nickel, ((2-(hydroxy-kappaO)benzoic acid-kappaO) (3-(1-cyano-2-(methylamino)-2-(oxo-kappaO)ethylidene)-2,3-dihydro-1H-isoindol-1-ylidene-kappaN)hydrazidato(2-))-, Nickel, [[2-(hydroxy-.kappa.O)benzoic acid-.kappa.O] [3-[1-cyano-2-(methylamino)-2-(oxo-.kappa.O)ethylidene]-2,3-dihydro-1H-isoindol-1-ylidene-.kappa.N]hydrazidato(2-)]-, ((3-(1-Cyano-2-(methylamino)-2-oxoethylidene)-2,3-dihydro-1H-isoindol-1-ylidene)(salicylic)hydrazidato(2-))nickel, [[3-[1-cyano-2-(methylamino)-2-oxoethylidene]-2,3-dihydro-1H-isoindol-1-ylidene](salicylic)hydrazidato(2-)]nickel
| Molecular Formula | C19H13N5NiO3 |
|---|---|
| Molecular Weight | 417.04 g/mol |
| LogP | 2.5316 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 417.03717 |
| Heavy Atoms | 28 |
| Complexity | 658.0 |
Chemical Identifiers
| CAS Number | 85958-80-1 |
|---|---|
| SMILES | CNC(=O)C(=C=[N-])C1=C2C=CC=CC2=C(N1)N=NC(=O)C3=CC=CC=C3[O-].[Ni+2] |
| InChIKey | VXLFHIGTXKTZCV-UHFFFAOYSA-M |
Product Overview
Pigment Red 271 (CAS 85958-80-1), with molecular formula C19H13N5NiO3 and molecular weight 417.04 g/mol. IUPAC: 2-[[3-[1-azanidylidene-3-(methylamino)-3-oxoprop-1-en-2-yl]-2H-isoindol-1-yl]iminocarbamoyl]phenolate;nickel(2+).
Chemical Property Profile of Pigment Red 271
Property Insights of Pigment Red 271
The XLogP value of 2.5316 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pigment Red 271. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Pigment Red 271. Following Lipinski's Rule of Five, Pigment Red 271 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pigment Red 271?
The CAS number of Pigment Red 271 is 85958-80-1.
What is the molecular formula of Pigment Red 271?
The molecular formula of Pigment Red 271 is C19H13N5NiO3.
What is the molecular weight of Pigment Red 271?
The molecular weight of Pigment Red 271 is 417.04 g/mol.
Where can I buy Pigment Red 271?
You can request a quote for Pigment Red 271 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pigment Red 271?
Yes, KEHONG BIO provides custom synthesis services for Pigment Red 271 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.