RefChem:220056
TL;DR: RefChem:220056 (CAS 52301-70-9) is a chemical compound with molecular formula C40H34N12Na6O20S6 and molecular weight 1331.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexasodium;2-[[4-[4-[2-[4-[[4-(2,5-disulfonatoanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]-3-sulfonatoanilino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonate
Also Known As: 1(3H)-Isobenzofuranone,3-(2,5-dihydroxyphenyl), 1,4-Benzenedisulfonic acid, 2,2'-[1,2-ethenediylbis[(3-sulfo-4,1-phenylene)imino[6-(4-morpholinyl)-1,3,5-triazine-4,2-diyl]imino]]bis-, hexasodium salt, 1,4-Benzenedisulfonic acid, 2,2'-(1,2-ethenediylbis((3-sulfo-4,1-phenylene)imino(6-(4-morpholinyl)-1,3,5-triazine-4,2-diyl)imino))bis-, hexasodium salt, 1,4-Benzenedisulfonic acid, 2,2'-(1,2-ethenediylbis((3-sulfo-4,1-phenylene)imino(6-(4-morpholinyl)-1,3,5-triazine-4,2-diyl)imino))bis-, sodium salt (1:6), 1,4-Benzenedisulfonic acid, 2,2'-[1,2-ethenediylbis[( 3-sulfo-4,1-phenylene)imino[6-(4-morpholinyl)-1,3 ,5-triazine-4,2-diyl]imino]]bis-, hexasodium salt
| Molecular Formula | C40H34N12Na6O20S6 |
|---|---|
| Molecular Weight | 1331.97 g/mol |
| LogP | -17.6768 |
| Topological Polar Surface Area | 544.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 32 |
| Rotatable Bonds | 12 |
| Exact Mass | 1331.9723 |
| Heavy Atoms | 84 |
| Complexity | 2480.0 |
Chemical Identifiers
| CAS Number | 52301-70-9 |
|---|---|
| SMILES | C1COCCN1C2=NC(=NC(=N2)NC3=C(C=CC(=C3)S(=O)(=O)[O-])S(=O)(=O)[O-])NC4=CC(=C(C=C4)C=CC5=C(C=C(C=C5)NC6=NC(=NC(=N6)N7CCOCC7)NC8=C(C=CC(=C8)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+] |
| InChIKey | AMECABTUOXBYGQ-UHFFFAOYSA-H |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:220056 (CAS 52301-70-9), with molecular formula C40H34N12Na6O20S6 and molecular weight 1331.97 g/mol. IUPAC: hexasodium;2-[[4-[4-[2-[4-[[4-(2,5-disulfonatoanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]-3-sulfonatoanilino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonate.
Chemical Property Profile of RefChem:220056
Property Insights of RefChem:220056
The XLogP value of -17.6768 indicates that RefChem:220056 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 544.0 Ų indicates high polarity, suggesting RefChem:220056 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:220056 has 4 hydrogen bond donor(s) and 32 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:220056?
The CAS number of RefChem:220056 is 52301-70-9.
What is the molecular formula of RefChem:220056?
The molecular formula of RefChem:220056 is C40H34N12Na6O20S6.
What is the molecular weight of RefChem:220056?
The molecular weight of RefChem:220056 is 1331.97 g/mol.
Where can I buy RefChem:220056?
You can request a quote for RefChem:220056 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:220056?
Yes, KEHONG BIO provides custom synthesis services for RefChem:220056 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.