TL;DR: 1,3-Naphthalenedisulfonic acid, 8-((3,3'-dimethyl-4'-((4-(((3-methylphenyl)sulfonyl)oxy)phenyl)azo)(1,1'-biphenyl)-4-yl)azo)-, disodium salt (CAS 142030-26-0) is a chemical compound with molecular formula C37H28N4Na2O9S3 and molecular weight 814.08136 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
disodium;8-[[2-methyl-4-[3-methyl-4-[[4-(3-methylphenyl)sulfonyloxyphenyl]diazenyl]phenyl]phenyl]diazenyl]naphthalene-1,3-disulfonate
Also Known As: 1,3-Naphthalenedisulfonic acid, 8-((3,3'-dimethyl-4'-((4-(((3-methylphenyl)sulfonyl)oxy)phenyl)azo)(1,1'-biphenyl)-4-yl)azo)-, disodium salt, disodium 8-[[2-methyl-4-[3-methyl-4-[[4-(3-methylphenyl)sulfonyloxyphenyl]diazenyl]phenyl]phenyl]diazenyl]naphthalene-1,3-disulfonate
| Molecular Formula | C37H28N4Na2O9S3 |
| Molecular Weight | 814.08136 g/mol |
| XLogP | 2.84676 |
| Topological Polar Surface Area (TPSA) | 232.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 8 |
| Exact Mass | 814.08136 Da |
| Heavy Atoms | 55 |
| Complexity | 1590.0 |
| SMILES | CC1=CC(=CC=C1)S(=O)(=O)OC2=CC=C(C=C2)N=NC3=C(C=C(C=C3)C4=CC(=C(C=C4)N=NC5=CC=CC6=CC(=CC(=C65)S(=O)(=O)[O-])S(=O)(=O)[O-])C)C.[Na+].[Na+] |
| InChIKey | FJNXIXHPKDWTNI-UHFFFAOYSA-L |
The XLogP value of 2.84676 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Naphthalenedisulfonic acid, 8-((3,3'-dimethyl-4'-((4-(((3-methylphenyl)sulfonyl)oxy)phenyl)azo)(1,1'-biphenyl)-4-yl)azo)-, disodium salt. The TPSA of 232.0 Ų indicates high polarity, suggesting 1,3-Naphthalenedisulfonic acid, 8-((3,3'-dimethyl-4'-((4-(((3-methylphenyl)sulfonyl)oxy)phenyl)azo)(1,1'-biphenyl)-4-yl)azo)-, disodium salt may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,3-Naphthalenedisulfonic acid, 8-((3,3'-dimethyl-4'-((4-(((3-methylphenyl)sulfonyl)oxy)phenyl)azo)(1,1'-biphenyl)-4-yl)azo)-, disodium salt has 0 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1,3-Naphthalenedisulfonic acid, 8-((3,3'-dimethyl-4'-((4-(((3-methylphenyl)sulfonyl)oxy)phenyl)azo)(1,1'-biphenyl)-4-yl)azo)-, disodium salt is 142030-26-0.
The molecular formula of 1,3-Naphthalenedisulfonic acid, 8-((3,3'-dimethyl-4'-((4-(((3-methylphenyl)sulfonyl)oxy)phenyl)azo)(1,1'-biphenyl)-4-yl)azo)-, disodium salt is C37H28N4Na2O9S3.
The molecular weight of 1,3-Naphthalenedisulfonic acid, 8-((3,3'-dimethyl-4'-((4-(((3-methylphenyl)sulfonyl)oxy)phenyl)azo)(1,1'-biphenyl)-4-yl)azo)-, disodium salt is 814.08136 g/mol.
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