RefChem:564730
TL;DR: RefChem:564730 (CAS 85940-64-3) is a chemical compound with molecular formula C22H29N4NaO13S3 and molecular weight 676.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azanium;sodium;5-methoxy-4-[[2-[[2-methoxy-5-methyl-4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]-3-oxobutanoyl]amino]-2-methylbenzenesulfonate
Also Known As: Benzenesulfonic acid, 5-methoxy-4-((2-((2-methoxy-5-methyl-4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo)-1,3-dioxobutyl)amino)-2-methyl-, ammonium sodium salt, Benzenesulfonic acid, 5-methoxy-4-[[2-[[2-methoxy-5-methyl-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-1,3-dioxobutyl]amino]-2-methyl-, ammonium sodium salt, Benzenesulfonic acid, 5-methoxy-4-((2-(2-(2-methoxy-5-methyl-4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)diazenyl)-1,3-dioxobutyl)amino)-2-methyl-, ammonium sodium salt (1:?:?), Ammonium sodium 5-methoxy-4-((2-((2-methoxy-5-methyl-4-((2-(sulphonatooxy)ethyl)sulphonyl)phenyl)azo)-1,3-dioxobutyl)amino)-2-methylbenzenesulphonate, ammonium sodium 5-methoxy-4-({2-[(e)-(2-methoxy-5-methyl-4-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)diazenyl]-3-oxobutanoyl}amino)-2-methylbenzenesulfonate(1:1:1)
| Molecular Formula | C22H29N4NaO13S3 |
|---|---|
| Molecular Weight | 676.08 g/mol |
| LogP | -1.46456 |
| Topological Polar Surface Area | 273.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 11 |
| Exact Mass | 676.0791 |
| Heavy Atoms | 43 |
| Complexity | 1240.0 |
Chemical Identifiers
| CAS Number | 85940-64-3 |
|---|---|
| SMILES | CC1=CC(=C(C=C1S(=O)(=O)[O-])OC)NC(=O)C(C(=O)C)N=NC2=C(C=C(C(=C2)C)S(=O)(=O)CCOS(=O)(=O)[O-])OC.[NH4+].[Na+] |
| InChIKey | LEKJZKMNUQOOBO-UHFFFAOYSA-M |
Product Overview
RefChem:564730 (CAS 85940-64-3), with molecular formula C22H29N4NaO13S3 and molecular weight 676.08 g/mol. IUPAC: azanium;sodium;5-methoxy-4-[[2-[[2-methoxy-5-methyl-4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]-3-oxobutanoyl]amino]-2-methylbenzenesulfonate.
Chemical Property Profile of RefChem:564730
Property Insights of RefChem:564730
The XLogP value of -1.46456 indicates that RefChem:564730 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 273.0 Ų indicates high polarity, suggesting RefChem:564730 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:564730 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:564730?
The CAS number of RefChem:564730 is 85940-64-3.
What is the molecular formula of RefChem:564730?
The molecular formula of RefChem:564730 is C22H29N4NaO13S3.
What is the molecular weight of RefChem:564730?
The molecular weight of RefChem:564730 is 676.08 g/mol.
Where can I buy RefChem:564730?
You can request a quote for RefChem:564730 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:564730?
Yes, KEHONG BIO provides custom synthesis services for RefChem:564730 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.