RefChem:220055
TL;DR: RefChem:220055 (CAS 67906-33-6) is a chemical compound with molecular formula C42H40N14Na6O22S6 and molecular weight 1422.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexasodium;2-[[4-[(3-amino-3-oxopropyl)-(2-hydroxyethyl)amino]-6-[4-[2-[4-[[4-[(3-amino-3-oxopropyl)-(2-hydroxyethyl)amino]-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-amino-3-oxopropyl)(2-hydroxyethyl)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-amino-3-oxopropyl)(2-hydroxyethyl)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-amino-3-oxopropyl)(2-hydroxyethyl)amino]-1,3,5-triazine-4,2-diyl]imino]]bis-, hexasodium salt, RefChem:220055
| Molecular Formula | C42H40N14Na6O22S6 |
|---|---|
| Molecular Weight | 1422.02 g/mol |
| LogP | -20.0 |
| Topological Polar Surface Area | 652.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 34 |
| Rotatable Bonds | 22 |
| Exact Mass | 1422.0153 |
| Heavy Atoms | 90 |
| Complexity | 2670.0 |
Chemical Identifiers
| CAS Number | 67906-33-6 |
|---|---|
| SMILES | C1=CC(=C(C=C1NC2=NC(=NC(=N2)N(CCC(=O)N)CCO)NC3=C(C=CC(=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(CCC(=O)N)CCO)NC6=C(C=CC(=C6)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+] |
| InChIKey | CIWXATOWCSNXPR-UHFFFAOYSA-H |
Product Overview
RefChem:220055 (CAS 67906-33-6), with molecular formula C42H40N14Na6O22S6 and molecular weight 1422.02 g/mol. IUPAC: hexasodium;2-[[4-[(3-amino-3-oxopropyl)-(2-hydroxyethyl)amino]-6-[4-[2-[4-[[4-[(3-amino-3-oxopropyl)-(2-hydroxyethyl)amino]-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:220055
Property Insights of RefChem:220055
The XLogP value of -20.0 indicates that RefChem:220055 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 652.0 Ų indicates high polarity, suggesting RefChem:220055 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:220055 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:220055?
The CAS number of RefChem:220055 is 67906-33-6.
What is the molecular formula of RefChem:220055?
The molecular formula of RefChem:220055 is C42H40N14Na6O22S6.
What is the molecular weight of RefChem:220055?
The molecular weight of RefChem:220055 is 1422.02 g/mol.
Where can I buy RefChem:220055?
You can request a quote for RefChem:220055 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:220055?
Yes, KEHONG BIO provides custom synthesis services for RefChem:220055 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.