TL;DR: 6,6'-(((1Z,1'Z)-(1,1',6,6'-tetrahydroxy-5,5'-diisopropyl-3,3'-dimethyl-7,7'-dioxo-[2,2'-binaphthalene]-8,8'(7H,7'H)-diylidene)bis(methanylylidene))bis(azanediyl))dihexanoic acid (CAS 1360534-83-3) is a chemical compound with molecular formula C42H52N2O10 and molecular weight 744.3622 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-[[7-[8-(5-carboxypentyliminomethyl)-1,6,7-trihydroxy-3-methyl-5-propan-2-ylnaphthalen-2-yl]-2,3,8-trihydroxy-6-methyl-4-propan-2-ylnaphthalen-1-yl]methylideneamino]hexanoic acid
Also Known As: 6,6'-(((1Z,1'Z)-(1,1',6,6'-tetrahydroxy-5,5'-diisopropyl-3,3'-dimethyl-7,7'-dioxo-[2,2'-binaphthalene]-8,8'(7H,7'H)-diylidene)bis(methanylylidene))bis(azanediyl))dihexanoic acid, 6,6'-(((1Z,1'Z)-(1,1',6,6'-tetrahydroxy-5,5'-diisopropyl-3,3'-dimethyl-7,7'-dioxo-[2,2'-binaphthalene]-8,8'(7H,7'H)-diylidene)bis(methanylylidene))bis(azanediyl))dihexanoic acid [M+H]+, 6,6'-{[1,1',6,6'-tetrahydroxy-3,3'-dimethyl-7,7'-dioxo-5,5'-di(propan-2-yl)-2,2'-binaphthalene-8,8'(7H,7'H)-diylidene]bis[(Z)methylylideneimino]}dihexanoic acid, 6-[[(Z)-[7-[(8Z)-1,6-dihydroxy-8-[[(6-hydroxy-6-oxohexyl)amino]methylidene]-3-methyl-7-oxo-5-propan-2-ylnaphthalen-2-yl]-3,8-dihydroxy-6-methyl-2-oxo-4-propan-2-ylnaphthalen-1-ylidene]methyl]amino]hexanoic acid, 6-[[7-[1,6-dihydroxy-8-[[(6-hydroxy-6-oxohexyl)amino]methylidene]-3-methyl-7-oxo-5-propan-2-ylnaphthalen-2-yl]-3,8-dihydroxy-6-methyl-2-oxo-4-propan-2-ylnaphthalen-1-ylidene]methylamino]hexanoic acid
| Molecular Formula | C42H52N2O10 |
| Molecular Weight | 744.3622 g/mol |
| XLogP | 7.2 |
| Topological Polar Surface Area (TPSA) | 221.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 17 |
| Exact Mass | 744.3622 Da |
| Heavy Atoms | 54 |
| Complexity | 1170.0 |
| SMILES | CC1=CC2=C(C(=C(C(=C2C(C)C)O)O)C=NCCCCCC(=O)O)C(=C1C3=C(C4=C(C=C3C)C(=C(C(=C4C=NCCCCCC(=O)O)O)O)C(C)C)O)O |
| InChIKey | UDUSXFYYMKDBSJ-UHFFFAOYSA-N |
The XLogP value of 7.2 indicates that 6,6'-(((1Z,1'Z)-(1,1',6,6'-tetrahydroxy-5,5'-diisopropyl-3,3'-dimethyl-7,7'-dioxo-[2,2'-binaphthalene]-8,8'(7H,7'H)-diylidene)bis(methanylylidene))bis(azanediyl))dihexanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 221.0 Ų indicates high polarity, suggesting 6,6'-(((1Z,1'Z)-(1,1',6,6'-tetrahydroxy-5,5'-diisopropyl-3,3'-dimethyl-7,7'-dioxo-[2,2'-binaphthalene]-8,8'(7H,7'H)-diylidene)bis(methanylylidene))bis(azanediyl))dihexanoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6,6'-(((1Z,1'Z)-(1,1',6,6'-tetrahydroxy-5,5'-diisopropyl-3,3'-dimethyl-7,7'-dioxo-[2,2'-binaphthalene]-8,8'(7H,7'H)-diylidene)bis(methanylylidene))bis(azanediyl))dihexanoic acid has 8 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 6,6'-(((1Z,1'Z)-(1,1',6,6'-tetrahydroxy-5,5'-diisopropyl-3,3'-dimethyl-7,7'-dioxo-[2,2'-binaphthalene]-8,8'(7H,7'H)-diylidene)bis(methanylylidene))bis(azanediyl))dihexanoic acid is 1360534-83-3.
The molecular formula of 6,6'-(((1Z,1'Z)-(1,1',6,6'-tetrahydroxy-5,5'-diisopropyl-3,3'-dimethyl-7,7'-dioxo-[2,2'-binaphthalene]-8,8'(7H,7'H)-diylidene)bis(methanylylidene))bis(azanediyl))dihexanoic acid is C42H52N2O10.
The molecular weight of 6,6'-(((1Z,1'Z)-(1,1',6,6'-tetrahydroxy-5,5'-diisopropyl-3,3'-dimethyl-7,7'-dioxo-[2,2'-binaphthalene]-8,8'(7H,7'H)-diylidene)bis(methanylylidene))bis(azanediyl))dihexanoic acid is 744.3622 g/mol.
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