TL;DR: RefChem:138158 (CAS 17011-51-7) is a chemical compound with molecular formula C20H26N6Na2O8S2 and molecular weight 588.1049 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2'-((3,3'-Dimethoxy-4,4'-biphenylene)bis(azo(methylamino)))diethanesulfonic acid, disodium salt
disodium;2-[[[2-methoxy-4-[3-methoxy-4-[[methyl(2-sulfonatoethyl)amino]diazenyl]phenyl]phenyl]diazenyl]-methylamino]ethanesulfonate
Also Known As: disodium 2,2'-{(3,3'-dimethoxybiphenyl-4,4'-diyl)bis[(1e)-3-methyltriaz-1-ene-1,3-diyl]}diethanesulfonate, 2,2'-((3,3'-Dimethoxy-4,4'-biphenylene)bis(azo(methylamino)))diethanesulfonic acid, disodium salt, Disodium 2,2'-[(3,3'-dimethoxy-4,4'-biphenylylene)bis[azo(methylimino)]]di(ethanesulphonate), 2,2'-((2,2'-Dimethoxy-4,4'-biphenylene)bis(azo(methylimino)))di(ethanesulfonic acid), disodium salt, disodium;2-[[[2-methoxy-4-[3-methoxy-4-[[methyl(2-sulfonatoethyl)amino]diazenyl]phenyl]phenyl]diazenyl]-methylamino]ethanesulfonate
| Molecular Formula | C20H26N6Na2O8S2 |
| Molecular Weight | 588.1049 g/mol |
| XLogP | -3.67 |
| Topological Polar Surface Area (TPSA) | 206.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 11 |
| Exact Mass | 588.1049 Da |
| Heavy Atoms | 38 |
| Complexity | 834.0 |
| SMILES | CN(CCS(=O)(=O)[O-])N=NC1=C(C=C(C=C1)C2=CC(=C(C=C2)N=NN(C)CCS(=O)(=O)[O-])OC)OC.[Na+].[Na+] |
| InChIKey | LLTLPCRATLSODZ-UHFFFAOYSA-L |
The XLogP value of -3.67 indicates that RefChem:138158 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 206.0 Ų indicates high polarity, suggesting RefChem:138158 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:138158 has 0 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of RefChem:138158 is 17011-51-7.
The molecular formula of RefChem:138158 is C20H26N6Na2O8S2.
The molecular weight of RefChem:138158 is 588.1049 g/mol.
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