RefChem:217811
TL;DR: RefChem:217811 (CAS 68072-53-7) is a chemical compound with molecular formula C40H38N12Na6O22S6 and molecular weight 1367.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexasodium;4-[[4-[bis(2-hydroxyethyl)amino]-6-[4-[2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-(2,4-disulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]-3-sulfonatoanilino]-1,3,5-triazin-2-yl]amino]benzene-1,3-disulfonate
Also Known As: 1,3-Benzenedisulfonic acid, 4,4'-[1,2-ethenediylbis[(3-sulfo-4,1-phenylene)imino[6-[bis(2-hydroxyethyl)amino]-1,3,5-triazine-4,2-diyl]imino]]bis-, hexasodium salt, 1,3-Benzenedisulfonic acid, 4,4'-[1,2-ethenediylbis[(3-sulfo-4,1-phenylene)imino[6-[bis(2-hydroxyethyl)amino]-1,3,5-triazine-4,2-diyl]imino]]bis-, sodium salt (1:6), 1,3-Benzenedisulfonic acid, 4,4'-(1,2-ethenediylbis((3-sulfo-4,1-phenylene)imino(6-(bis(2-hydroxyethyl)amino)-1,3,5-triazine-4,2-diyl)imino))bis-, sodium salt (1:6), Hexasodium 4,4'-{ethene-1,2-diylbis[(3-sulfonato-4,1-phenylene)azanediyl{6-[bis(2-hydroxyethyl)amino]-1,3,5-triazine-4,2-diyl}azanediyl]}di(benzene-1,3-disulfonate), RefChem:217811
| Molecular Formula | C40H38N12Na6O22S6 |
|---|---|
| Molecular Weight | 1367.99 g/mol |
| LogP | -19.768 |
| Topological Polar Surface Area | 606.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 34 |
| Rotatable Bonds | 20 |
| Exact Mass | 1367.9934 |
| Heavy Atoms | 86 |
| Complexity | 2450.0 |
Chemical Identifiers
| CAS Number | 68072-53-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1NC2=NC(=NC(=N2)N(CCO)CCO)NC3=C(C=C(C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])C=CC4=C(C=C(C=C4)NC5=NC(=NC(=N5)N(CCO)CCO)NC6=C(C=C(C=C6)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+] |
| InChIKey | BAJUOBBOYSPFCD-UHFFFAOYSA-H |
Product Overview
RefChem:217811 (CAS 68072-53-7), with molecular formula C40H38N12Na6O22S6 and molecular weight 1367.99 g/mol. IUPAC: hexasodium;4-[[4-[bis(2-hydroxyethyl)amino]-6-[4-[2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-(2,4-disulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]-3-sulfonatoanilino]-1,3,5-triazin-2-yl]amino]benzene-1,3-disulfonate.
Chemical Property Profile of RefChem:217811
Property Insights of RefChem:217811
The XLogP value of -19.768 indicates that RefChem:217811 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 606.0 Ų indicates high polarity, suggesting RefChem:217811 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:217811 has 8 hydrogen bond donor(s) and 34 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:217811?
The CAS number of RefChem:217811 is 68072-53-7.
What is the molecular formula of RefChem:217811?
The molecular formula of RefChem:217811 is C40H38N12Na6O22S6.
What is the molecular weight of RefChem:217811?
The molecular weight of RefChem:217811 is 1367.99 g/mol.
Where can I buy RefChem:217811?
You can request a quote for RefChem:217811 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:217811?
Yes, KEHONG BIO provides custom synthesis services for RefChem:217811 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.