TL;DR: 2,2'-Stilbenedisulfonic acid der. (CAS 140942-26-3) is a chemical compound with molecular formula C34H26N6O12S4 and molecular weight 838.04913 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-amino-8-[[4-[2-[4-[(4-amino-7-sulfonaphthalen-1-yl)diazenyl]-2-sulfophenyl]ethenyl]-3-sulfophenyl]diazenyl]naphthalene-2-sulfonic acid
Also Known As: 2,2'-Stilbenedisulfonic acid der., NCI60_003111, 5-amino-8-[[4-[2-[4-[(4-amino-7-sulfonaphthalen-1-yl)diazenyl]-2-sulfophenyl]ethenyl]-3-sulfophenyl]diazenyl]naphthalene-2-sulfonic acid, 2-Naphthalenesulfonic acid, 5,5'-[1,2-ethenediylbis[(3-sulfo-4,1-phenylene)azo]]bis[8-amino-, 5-amino-8-[(E)-[4-[2-[4-[(E)-(4-amino-7-sulfo-1-naphthyl)azo]-2-sulfo-phenyl]vinyl]-3-sulfo-phenyl]azo]naphthalene-2-sulfonic acid
| Molecular Formula | C34H26N6O12S4 |
| Molecular Weight | 838.04913 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 352.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 10 |
| Exact Mass | 838.04913 Da |
| Heavy Atoms | 56 |
| Complexity | 1790.0 |
| SMILES | C1=CC(=C(C=C1N=NC2=C3C=C(C=CC3=C(C=C2)N)S(=O)(=O)O)S(=O)(=O)O)C=CC4=C(C=C(C=C4)N=NC5=C6C=C(C=CC6=C(C=C5)N)S(=O)(=O)O)S(=O)(=O)O |
| InChIKey | SNXAXOIRGVVISE-UHFFFAOYSA-N |
The XLogP value of 3.9 indicates that 2,2'-Stilbenedisulfonic acid der. is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 352.0 Ų indicates high polarity, suggesting 2,2'-Stilbenedisulfonic acid der. may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,2'-Stilbenedisulfonic acid der. has 6 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2,2'-Stilbenedisulfonic acid der. is 140942-26-3.
The molecular formula of 2,2'-Stilbenedisulfonic acid der. is C34H26N6O12S4.
The molecular weight of 2,2'-Stilbenedisulfonic acid der. is 838.04913 g/mol.
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