TL;DR: 3,5-Dichloro-2-[2-[5-cyano-2,6-bis[(3-hydroxypropyl)amino]-4-methyl-3-pyridinyl]diazenyl]benzenesulfonic acid (CAS 101044-21-7) is a chemical compound with molecular formula C19H22Cl2N6O5S and molecular weight 516.07495 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,5-dichloro-2-[[5-cyano-2,6-bis(3-hydroxypropylamino)-4-methyl-3-pyridinyl]diazenyl]benzenesulfonic acid
Also Known As: 3,5-Dichloro-2-[2-[5-cyano-2,6-bis[(3-hydroxypropyl)amino]-4-methyl-3-pyridinyl]diazenyl]benzenesulfonic acid, 3,5-dichloro-2-[[5-cyano-2,6-bis(3-hydroxypropylamino)-4-methylpyridin-3-yl]diazenyl]benzenesulfonic acid
| Molecular Formula | C19H22Cl2N6O5S |
| Molecular Weight | 516.07495 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 189.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 11 |
| Exact Mass | 516.07495 Da |
| Heavy Atoms | 33 |
| Complexity | 791.0 |
| SMILES | CC1=C(C(=NC(=C1N=NC2=C(C=C(C=C2Cl)Cl)S(=O)(=O)O)NCCCO)NCCCO)C#N |
| InChIKey | IPBUSLBXPDZYKV-UHFFFAOYSA-N |
The XLogP value of 3.8 indicates that 3,5-Dichloro-2-[2-[5-cyano-2,6-bis[(3-hydroxypropyl)amino]-4-methyl-3-pyridinyl]diazenyl]benzenesulfonic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 189.0 Ų indicates high polarity, suggesting 3,5-Dichloro-2-[2-[5-cyano-2,6-bis[(3-hydroxypropyl)amino]-4-methyl-3-pyridinyl]diazenyl]benzenesulfonic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3,5-Dichloro-2-[2-[5-cyano-2,6-bis[(3-hydroxypropyl)amino]-4-methyl-3-pyridinyl]diazenyl]benzenesulfonic acid has 5 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 3,5-Dichloro-2-[2-[5-cyano-2,6-bis[(3-hydroxypropyl)amino]-4-methyl-3-pyridinyl]diazenyl]benzenesulfonic acid is 101044-21-7.
The molecular formula of 3,5-Dichloro-2-[2-[5-cyano-2,6-bis[(3-hydroxypropyl)amino]-4-methyl-3-pyridinyl]diazenyl]benzenesulfonic acid is C19H22Cl2N6O5S.
The molecular weight of 3,5-Dichloro-2-[2-[5-cyano-2,6-bis[(3-hydroxypropyl)amino]-4-methyl-3-pyridinyl]diazenyl]benzenesulfonic acid is 516.07495 g/mol.
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