RefChem:565645
TL;DR: RefChem:565645 (CAS 66214-49-1) is a chemical compound with molecular formula C28H22N6Na2O8S and molecular weight 648.1015 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
disodium;2-hydroxy-5-[[4-[[2-methoxy-4-[(3-sulfonatophenyl)diazenyl]phenyl]carbamoylamino]phenyl]diazenyl]-3-methylbenzoate
Also Known As: Benzoic acid, 2-hydroxy-5-[[4-[[[[2-methoxy-4-[(3-sulfophenyl)azo]phenyl]amino]carbonyl]amino]phenyl]azo]-3-methyl-, disodium salt, 5-(((4-(2-Methoxy-4-((m-sulfophenyl)azo)phenyl)ureido)phenyl)azo)-3-methylsalicylic acid, disodium salt, 5-((p-(3-(2-Methoxy-4-((m-sulfophenyl)azo)phenyl)ureido)phenyl)azo)-2,3-cresotic acid, disodium salt, Benzoic acid, 2-hydroxy-5-((4-((((2-methoxy-4-((3-sulfophenyl)azo)phenyl)amino)carbonyl)amino)phenyl)azo)-3-methyl-, disodium salt, Benzoic acid, 2-hydroxy-5-(2-(4-((((2-methoxy-4-(2-(3-sulfophenyl)diazenyl)phenyl)amino)carbonyl)amino)phenyl)diazenyl)-3-methyl-, sodium salt (1:2)
Technical Specifications
| Molecular Formula | C28H22N6Na2O8S |
| Molecular Weight | 648.1015 g/mol |
| XLogP | -0.54 |
| Topological Polar Surface Area (TPSA) | 226.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 7 |
| Exact Mass | 648.1015 Da |
| Heavy Atoms | 45 |
| Complexity | 1090.0 |
| SMILES | CC1=CC(=CC(=C1O)C(=O)[O-])N=NC2=CC=C(C=C2)NC(=O)NC3=C(C=C(C=C3)N=NC4=CC(=CC=C4)S(=O)(=O)[O-])OC.[Na+].[Na+] |
| InChIKey | OULJVPDFRVSKPE-UHFFFAOYSA-L |
Chemical Property Profile of RefChem:565645
Property Insights of RefChem:565645
The XLogP value of -0.54 indicates that RefChem:565645 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 226.0 Ų indicates high polarity, suggesting RefChem:565645 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:565645 has 3 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:565645?
The CAS number of RefChem:565645 is 66214-49-1.
What is the molecular formula of RefChem:565645?
The molecular formula of RefChem:565645 is C28H22N6Na2O8S.
What is the molecular weight of RefChem:565645?
The molecular weight of RefChem:565645 is 648.1015 g/mol.
Where can I buy RefChem:565645?
You can request a quote for RefChem:565645 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:565645?
Yes, CoreyChem provides custom synthesis services for RefChem:565645 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.