RefChem:73080
TL;DR: RefChem:73080 (CAS 94903-92-1) is a chemical compound with molecular formula C29H23FKN7NaO11S3- and molecular weight 822.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
potassium;sodium;2-[[4-[[4-[(4-amino-9,10-dioxo-3-sulfonatoanthracen-1-yl)amino]cyclohexyl]amino]-6-fluoro-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonate
Also Known As: 1,4-benzenedisulfonate, 2-[[4-[[4-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulfonato-1-anthracenyl)amino]cyclohexyl]amino]-6-fluoro-1,3,5-triazin-2-yl]amino]-, potassium sodium salt(1:1:1), 1,4-Benzenedisulfonic acid, 2-((4-((4-((4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino)cyclohexyl)amino)-6-fluoro-1,3,5-triazin-2-yl)amino)-, potassium sodium salt (1:?:?), 2-((4-((4-((4-Amino-3-sulfo-1-anthraquinonyl)amino)cyclohexyl)amino)-6-fluoro-1,3,5-triazin-2-yl)amino)-1,4-benzenedisulfonic acid, sodium potassium salt, 2-((4-((4-((4-Amino-9,10-dihydro-9,10-dioxo-3-sulpho-1-anthryl)amino)cyclohexyl)amino)-6-fluoro-1,3,5-triazin-2-yl)amino)benzene-1,4-disulphonic acid, potassium sodium salt, 1,4-Benzenedisulfonic acid, 2-((4-((4-((4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino)cyclohexyl)amino)-6-fluoro-1,3,5-triazin-2-yl)amino)-, potassium sodium salt
| Molecular Formula | C29H23FKN7NaO11S3- |
|---|---|
| Molecular Weight | 822.01 g/mol |
| LogP | -4.3326 |
| Topological Polar Surface Area | 332.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 6 |
| Exact Mass | 822.0137 |
| Heavy Atoms | 53 |
| Complexity | 1590.0 |
Chemical Identifiers
| CAS Number | 94903-92-1 |
|---|---|
| SMILES | C1CC(CCC1NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-])NC5=NC(=NC(=N5)NC6=C(C=CC(=C6)S(=O)(=O)[O-])S(=O)(=O)[O-])F.[Na+].[K+] |
| InChIKey | GAMLGDIDSXFYEU-UHFFFAOYSA-K |
Product Overview
RefChem:73080 (CAS 94903-92-1), with molecular formula C29H23FKN7NaO11S3- and molecular weight 822.01 g/mol. IUPAC: potassium;sodium;2-[[4-[[4-[(4-amino-9,10-dioxo-3-sulfonatoanthracen-1-yl)amino]cyclohexyl]amino]-6-fluoro-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonate.
Chemical Property Profile of RefChem:73080
Property Insights of RefChem:73080
The XLogP value of -4.3326 indicates that RefChem:73080 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 332.0 Ų indicates high polarity, suggesting RefChem:73080 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:73080 has 4 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:73080?
The CAS number of RefChem:73080 is 94903-92-1.
What is the molecular formula of RefChem:73080?
The molecular formula of RefChem:73080 is C29H23FKN7NaO11S3-.
What is the molecular weight of RefChem:73080?
The molecular weight of RefChem:73080 is 822.01 g/mol.
Where can I buy RefChem:73080?
You can request a quote for RefChem:73080 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:73080?
Yes, KEHONG BIO provides custom synthesis services for RefChem:73080 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.