RefChem:789034
TL;DR: RefChem:789034 (CAS 72812-34-1) is a chemical compound with molecular formula C43H44CrN7O9 and molecular weight 854.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
chromium(3+);1-[[4-(dioxidoamino)-6-oxocyclohexa-2,4-dien-1-ylidene]hydrazinylidene]naphthalen-2-one;3-(2-ethylhexoxy)propan-1-amine;hydron;1-[(5-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate
Also Known As: Chromate(1-), (1-((2-hydroxy-4-nitrophenyl)azo)-2-naphthalenolato(2-))(1-((2-hydroxy-5-nitrophenyl)azo)-2-naphthalenolato(2-))-, hydrogen, compd. with 3-((2-ethylhexyl)oxy)-1-propanamine (1:1), Chromate(1-), [1-[(2-hydroxy-4-nitrophenyl)azo]-2-naphthalenolato(2-)][1-[(2-hydroxy-5-nitrophenyl)azo]-2-naphthalenolato(2-)]-, hydrogen, compd. with 3-[(2-ethylhexyl)oxy]-1-propanamine (1:1), Hydrogen (1-((2-hydroxy-4-nitrophenyl)azo)-2-naphtholato(2-))(1-((2-hydroxy-5-nitrophenyl)azo)-2-naphtholato(2-))chromate(1-) , compound with 3-((2-ethylhexyl)oxy)propylamine (1:1), 276-857-1, Chromate(1-), [1-[(2-hydroxy-4-nitrophenyl)azo]-2-naphthalenolato(2-)][1-[(2-hydroxy-5-nitrophenyl)azo]-2-naphthalenolato(2-)]-, hydrogen, compound with 3-[(2-ethylhexyl)oxy]-1-propanamine (1:1)
| Molecular Formula | C43H44CrN7O9 |
|---|---|
| Molecular Weight | 854.26 g/mol |
| LogP | 7.7368 |
| Topological Polar Surface Area | 260.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 12 |
| Exact Mass | 854.26056 |
| Heavy Atoms | 60 |
| Complexity | 1230.0 |
Chemical Identifiers
| CAS Number | 72812-34-1 |
|---|---|
| SMILES | [H+].CCCCC(CC)COCCCN.C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=CC(=C3)[N+](=O)[O-])[O-])[O-].C1=CC=C2C(=C1)C=CC(=O)C2=NN=C3C=CC(=CC3=O)N([O-])[O-].[Cr+3] |
| InChIKey | FLCUQDVTMVAOQZ-UHFFFAOYSA-M |
Product Overview
RefChem:789034 (CAS 72812-34-1), with molecular formula C43H44CrN7O9 and molecular weight 854.26 g/mol. IUPAC: chromium(3+);1-[[4-(dioxidoamino)-6-oxocyclohexa-2,4-dien-1-ylidene]hydrazinylidene]naphthalen-2-one;3-(2-ethylhexoxy)propan-1-amine;hydron;1-[(5-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate.
Chemical Property Profile of RefChem:789034
Property Insights of RefChem:789034
The XLogP value of 7.7368 indicates that RefChem:789034 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 260.0 Ų indicates high polarity, suggesting RefChem:789034 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:789034 has 2 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:789034?
The CAS number of RefChem:789034 is 72812-34-1.
What is the molecular formula of RefChem:789034?
The molecular formula of RefChem:789034 is C43H44CrN7O9.
What is the molecular weight of RefChem:789034?
The molecular weight of RefChem:789034 is 854.26 g/mol.
Where can I buy RefChem:789034?
You can request a quote for RefChem:789034 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:789034?
Yes, KEHONG BIO provides custom synthesis services for RefChem:789034 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.