EINECS 255-965-2
TL;DR: EINECS 255-965-2 (CAS 428440-71-5) is a chemical compound with molecular formula C29H18N4NiO3 and molecular weight 528.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
nickel(2+);1-[[6-[(2-oxidonaphthalen-1-yl)methylideneamino]-2-oxo-1,3-dihydrobenzimidazol-5-yl]iminomethyl]naphthalen-2-olate
Also Known As: Pigment Orange 68, [1,3-dihydro-5,6-bis[[(2-hydroxy-1-naphthyl)methylene]amino]-2H-benzimidazol-2-onato(2-)-N5,N6,O5,O6]nickel, 1-(4-bromophenyl)-3-phenanthren-9-ylprop-2-en-1-one, 1-(4-methylphenyl)-3-phenanthren-9-ylprop-2-en-1-one, (1,3-Dihydro-5,6-bis(((2-hydroxy-1-naphthyl)methylene)amino)-2H-benzimidazol-2-onato(2-)-N5,N6,O5,O6)nickel
| Molecular Formula | C29H18N4NiO3 |
|---|---|
| Molecular Weight | 528.07 g/mol |
| LogP | 4.8085 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 528.07324 |
| Heavy Atoms | 37 |
| Complexity | 782.0 |
Chemical Identifiers
| CAS Number | 428440-71-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC(=C2C=NC3=C(C=C4C(=C3)NC(=O)N4)N=CC5=C(C=CC6=CC=CC=C65)[O-])[O-].[Ni+2] |
| InChIKey | IUJCUHZTPCIQQT-UHFFFAOYSA-L |
Product Overview
EINECS 255-965-2 (CAS 428440-71-5), with molecular formula C29H18N4NiO3 and molecular weight 528.07 g/mol. IUPAC: nickel(2+);1-[[6-[(2-oxidonaphthalen-1-yl)methylideneamino]-2-oxo-1,3-dihydrobenzimidazol-5-yl]iminomethyl]naphthalen-2-olate.
Chemical Property Profile of EINECS 255-965-2
Property Insights of EINECS 255-965-2
The XLogP value of 4.8085 indicates that EINECS 255-965-2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 255-965-2. Following Lipinski's Rule of Five, EINECS 255-965-2 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 255-965-2?
The CAS number of EINECS 255-965-2 is 428440-71-5.
What is the molecular formula of EINECS 255-965-2?
The molecular formula of EINECS 255-965-2 is C29H18N4NiO3.
What is the molecular weight of EINECS 255-965-2?
The molecular weight of EINECS 255-965-2 is 528.07 g/mol.
Where can I buy EINECS 255-965-2?
You can request a quote for EINECS 255-965-2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 255-965-2?
Yes, KEHONG BIO provides custom synthesis services for EINECS 255-965-2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.