RefChem:220054
TL;DR: RefChem:220054 (CAS 56190-26-2) is a chemical compound with molecular formula C42H40N14Na6O20S6 and molecular weight 1390.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexasodium;2-[[4-(3-acetamidopropylamino)-6-[4-[2-[4-[[4-(3-acetamidopropylamino)-6-(2,5-disulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]-3-sulfonatoanilino]-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonate
Also Known As: 1,4-Benzenedisulfonic acid, 2,2'-[1,2-ethenediylbis[(3-sulfo-4,1-phenylene)imino[6-[[3-(acetylamino)propyl]amino]-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-[[3-(acetylamino)propyl]amino]-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-((3-(acetylamino)propyl)amino)-1,3,5-triazine-4,2-diyl)imino))bis-, sodium salt (1:6), Hexasodium 2,2'-{ethene-1,2-diylbis[(3-sulfonato-4,1-phenylene)azanediyl{6-[(3-acetamidopropyl)amino]-1,3,5-triazine-4,2-diyl}azanediyl]}di(benzene-1,4-disulfonate), RefChem:220054
| Molecular Formula | C42H40N14Na6O20S6 |
|---|---|
| Molecular Weight | 1390.03 g/mol |
| LogP | -17.4738 |
| Topological Polar Surface Area | 601.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 32 |
| Rotatable Bonds | 20 |
| Exact Mass | 1390.0254 |
| Heavy Atoms | 88 |
| Complexity | 2600.0 |
Chemical Identifiers
| CAS Number | 56190-26-2 |
|---|---|
| SMILES | CC(=O)NCCCNC1=NC(=NC(=N1)NC2=C(C=CC(=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])NC3=CC(=C(C=C3)C=CC4=C(C=C(C=C4)NC5=NC(=NC(=N5)NCCCNC(=O)C)NC6=C(C=CC(=C6)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+] |
| InChIKey | HJRRWDRLTZZDNF-UHFFFAOYSA-H |
Product Overview
RefChem:220054 (CAS 56190-26-2), with molecular formula C42H40N14Na6O20S6 and molecular weight 1390.03 g/mol. IUPAC: hexasodium;2-[[4-(3-acetamidopropylamino)-6-[4-[2-[4-[[4-(3-acetamidopropylamino)-6-(2,5-disulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]-3-sulfonatoanilino]-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonate.
Chemical Property Profile of RefChem:220054
Property Insights of RefChem:220054
The XLogP value of -17.4738 indicates that RefChem:220054 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 601.0 Ų indicates high polarity, suggesting RefChem:220054 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:220054 has 8 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:220054?
The CAS number of RefChem:220054 is 56190-26-2.
What is the molecular formula of RefChem:220054?
The molecular formula of RefChem:220054 is C42H40N14Na6O20S6.
What is the molecular weight of RefChem:220054?
The molecular weight of RefChem:220054 is 1390.03 g/mol.
Where can I buy RefChem:220054?
You can request a quote for RefChem:220054 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:220054?
Yes, KEHONG BIO provides custom synthesis services for RefChem:220054 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.