RefChem:72461
TL;DR: RefChem:72461 (CAS 72139-16-3) is a chemical compound with molecular formula C24H11Cl3N5Na3O11S3 and molecular weight 814.84 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trisodium;4-[(4-amino-9,10-dioxo-3-sulfonatoanthracen-1-yl)amino]-6-[(2,5,6-trichloropyrimidin-4-yl)amino]benzene-1,3-disulfonate
Also Known As: 1,3-Benzenedisulfonic acid, 4-((4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino)-6-((2,5,6-trichloro-4-pyrimidinyl)amino)-, trisodium salt, trisodium4-[ amino]-6-[ amino]benzene-1,3-disulphonate, 1,3-Benzenedisulfonic acid, 4-((4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino)-6-((2,5,6-trichloro-4-pyrimidinyl)amino)-, sodium salt (1:3), 1,3-Benzenedisulfonic acid, 4-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino]-6-[(2,5,6-trichloro-4-pyrimidinyl)amino]-, sodium salt (1:3), 1,3-Benzenedisulfonic acid, 4-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino]-6-[(2,5,6-trichloro-4-pyrimidinyl)amino]-, trisodium salt
| Molecular Formula | C24H11Cl3N5Na3O11S3 |
|---|---|
| Molecular Weight | 814.84 g/mol |
| LogP | -5.9941 |
| Topological Polar Surface Area | 307.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 4 |
| Exact Mass | 814.8376 |
| Heavy Atoms | 49 |
| Complexity | 1480.0 |
Chemical Identifiers
| CAS Number | 72139-16-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC(=C(C=C4S(=O)(=O)[O-])S(=O)(=O)[O-])NC5=C(C(=NC(=N5)Cl)Cl)Cl)S(=O)(=O)[O-])N.[Na+].[Na+].[Na+] |
| InChIKey | KGWYMHSWTWJPQV-UHFFFAOYSA-K |
Product Overview
RefChem:72461 (CAS 72139-16-3), with molecular formula C24H11Cl3N5Na3O11S3 and molecular weight 814.84 g/mol. IUPAC: trisodium;4-[(4-amino-9,10-dioxo-3-sulfonatoanthracen-1-yl)amino]-6-[(2,5,6-trichloropyrimidin-4-yl)amino]benzene-1,3-disulfonate.
Chemical Property Profile of RefChem:72461
Property Insights of RefChem:72461
The XLogP value of -5.9941 indicates that RefChem:72461 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 307.0 Ų indicates high polarity, suggesting RefChem:72461 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:72461 has 3 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:72461?
The CAS number of RefChem:72461 is 72139-16-3.
What is the molecular formula of RefChem:72461?
The molecular formula of RefChem:72461 is C24H11Cl3N5Na3O11S3.
What is the molecular weight of RefChem:72461?
The molecular weight of RefChem:72461 is 814.84 g/mol.
Where can I buy RefChem:72461?
You can request a quote for RefChem:72461 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:72461?
Yes, KEHONG BIO provides custom synthesis services for RefChem:72461 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.