RefChem:576197
TL;DR: RefChem:576197 (CAS 72928-80-4) is a chemical compound with molecular formula C32H21ClCrN7O6 and molecular weight 686.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(5-chloro-2-oxidophenyl)diazenyl]naphthalen-2-olate;chromium(3+);hydron;3-methyl-4-[(4-nitro-2-oxidophenyl)diazenyl]-1-phenylpyrazol-5-olate
Also Known As: Chromate(1-), (1-((5-chloro-2-(hydroxy-kappaO)phenyl)azo-kappaN1)-2-naphthalenolato(2-))(2,4-dihydro-4-((2-(hydroxy-kappaO)-4-nitrophenyl)azo-kappaN1)-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)-kappaO3)-, hydrogen, Chromate(1-), (1-(2-(5-chloro-2-(hydroxy-kappaO)phenyl)diazenyl-kappaN1)-2-naphthalenolato(2-)-kappaO)(2,4-dihydro-4-(2-(2-(hydroxy-kappaO)-4-nitrophenyl)diazenyl-kappaN1)-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)-kappaO3)-, hydrogen (1:1), Chromate(1-), (2,4-dihydro-4-((2-hydroxy-4-nitrophenyl)azo)-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-))(1-((2-hydroxy-5-chlorophenyl)azo)-2-naphthalenolato)-, hydrogen, Chromate(1-), [1-[[5-chloro-2-(hydroxy-.kappa.O)phenyl]azo-.kappa.N1]-2-naphthalenolato(2-)][2,4-dihydro-4-[[2-(hydroxy-.kappa.O)-4-nitrophenyl]azo-.kappa.N1]-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)-.kappa.O3]-, hydrogen, 1-[(5-chloro-2-oxidophenyl)diazenyl]naphthalen-2-olate; chromium(3+); hydron; 5-methyl-4-[(4-nitro-2-oxidophenyl)diazenyl]-2-phenylpyrazol-3-olate
| Molecular Formula | C32H21ClCrN7O6 |
|---|---|
| Molecular Weight | 686.06 g/mol |
| LogP | 6.81732 |
| Topological Polar Surface Area | 205.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 686.0647 |
| Heavy Atoms | 47 |
| Complexity | 873.0 |
Chemical Identifiers
| CAS Number | 72928-80-4 |
|---|---|
| SMILES | [H+].CC1=NN(C(=C1N=NC2=C(C=C(C=C2)[N+](=O)[O-])[O-])[O-])C3=CC=CC=C3.C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=CC(=C3)Cl)[O-])[O-].[Cr+3] |
| InChIKey | KFSHJWFZIBFMFW-UHFFFAOYSA-K |
Product Overview
RefChem:576197 (CAS 72928-80-4), with molecular formula C32H21ClCrN7O6 and molecular weight 686.06 g/mol. IUPAC: 1-[(5-chloro-2-oxidophenyl)diazenyl]naphthalen-2-olate;chromium(3+);hydron;3-methyl-4-[(4-nitro-2-oxidophenyl)diazenyl]-1-phenylpyrazol-5-olate.
Chemical Property Profile of RefChem:576197
Property Insights of RefChem:576197
The XLogP value of 6.81732 indicates that RefChem:576197 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 205.0 Ų indicates high polarity, suggesting RefChem:576197 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:576197 has 1 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:576197?
The CAS number of RefChem:576197 is 72928-80-4.
What is the molecular formula of RefChem:576197?
The molecular formula of RefChem:576197 is C32H21ClCrN7O6.
What is the molecular weight of RefChem:576197?
The molecular weight of RefChem:576197 is 686.06 g/mol.
Where can I buy RefChem:576197?
You can request a quote for RefChem:576197 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:576197?
Yes, KEHONG BIO provides custom synthesis services for RefChem:576197 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.