TL;DR: (1Z)-7-[(8Z)-1,6-dihydroxy-3-methyl-7-oxo-5-propan-2-yl-8-[(pyridin-4-ylmethylamino)methylidene]naphthalen-2-yl]-3,8-dihydroxy-6-methyl-4-propan-2-yl-1-[(pyridin-4-ylmethylamino)methylidene]naphthalen-2-one (CAS 15264-31-0) is a chemical compound with molecular formula C42H42N4O6 and molecular weight 698.3104 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-methyl-5-propan-2-yl-8-(pyridin-4-ylmethyliminomethyl)-2-[1,6,7-trihydroxy-3-methyl-5-propan-2-yl-8-(pyridin-4-ylmethyliminomethyl)naphthalen-2-yl]naphthalene-1,6,7-triol
Also Known As: (1Z)-7-[(8Z)-1,6-dihydroxy-3-methyl-7-oxo-5-propan-2-yl-8-[(pyridin-4-ylmethylamino)methylidene]naphthalen-2-yl]-3,8-dihydroxy-6-methyl-4-propan-2-yl-1-[(pyridin-4-ylmethylamino)methylidene]naphthalen-2-one, 3,3'-dimethyl-5,5'-di(propan-2-yl)-8,8'-bis{(E)-[(pyridin-4-ylmethyl)imino]methyl}-2,2'-binaphthalene-1,1',6,6',7,7'-hexol, 5,5'-diisopropyl-3,3'-dimethyl-8,8'-bis((E)-((pyridin-4-ylmethyl)imino)methyl)-[2,2'-binaphthalene]-1,1',6,6',7,7'-hexaol, 7-[1,6-dihydroxy-3-methyl-7-oxo-5-propan-2-yl-8-[(pyridin-4-ylmethylamino)methylidene]naphthalen-2-yl]-3,8-dihydroxy-6-methyl-4-propan-2-yl-1-[(pyridin-4-ylmethylamino)methylidene]naphthalen-2-one
| Molecular Formula | C42H42N4O6 |
| Molecular Weight | 698.3104 g/mol |
| XLogP | 7.2 |
| Topological Polar Surface Area (TPSA) | 172.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 698.3104 Da |
| Heavy Atoms | 52 |
| Complexity | 1100.0 |
| SMILES | CC1=CC2=C(C(=C(C(=C2C(C)C)O)O)C=NCC3=CC=NC=C3)C(=C1C4=C(C5=C(C=C4C)C(=C(C(=C5C=NCC6=CC=NC=C6)O)O)C(C)C)O)O |
| InChIKey | FDHZPULGDBRSTK-UHFFFAOYSA-N |
The XLogP value of 7.2 indicates that (1Z)-7-[(8Z)-1,6-dihydroxy-3-methyl-7-oxo-5-propan-2-yl-8-[(pyridin-4-ylmethylamino)methylidene]naphthalen-2-yl]-3,8-dihydroxy-6-methyl-4-propan-2-yl-1-[(pyridin-4-ylmethylamino)methylidene]naphthalen-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 172.0 Ų indicates high polarity, suggesting (1Z)-7-[(8Z)-1,6-dihydroxy-3-methyl-7-oxo-5-propan-2-yl-8-[(pyridin-4-ylmethylamino)methylidene]naphthalen-2-yl]-3,8-dihydroxy-6-methyl-4-propan-2-yl-1-[(pyridin-4-ylmethylamino)methylidene]naphthalen-2-one may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (1Z)-7-[(8Z)-1,6-dihydroxy-3-methyl-7-oxo-5-propan-2-yl-8-[(pyridin-4-ylmethylamino)methylidene]naphthalen-2-yl]-3,8-dihydroxy-6-methyl-4-propan-2-yl-1-[(pyridin-4-ylmethylamino)methylidene]naphthalen-2-one has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (1Z)-7-[(8Z)-1,6-dihydroxy-3-methyl-7-oxo-5-propan-2-yl-8-[(pyridin-4-ylmethylamino)methylidene]naphthalen-2-yl]-3,8-dihydroxy-6-methyl-4-propan-2-yl-1-[(pyridin-4-ylmethylamino)methylidene]naphthalen-2-one is 15264-31-0.
The molecular formula of (1Z)-7-[(8Z)-1,6-dihydroxy-3-methyl-7-oxo-5-propan-2-yl-8-[(pyridin-4-ylmethylamino)methylidene]naphthalen-2-yl]-3,8-dihydroxy-6-methyl-4-propan-2-yl-1-[(pyridin-4-ylmethylamino)methylidene]naphthalen-2-one is C42H42N4O6.
The molecular weight of (1Z)-7-[(8Z)-1,6-dihydroxy-3-methyl-7-oxo-5-propan-2-yl-8-[(pyridin-4-ylmethylamino)methylidene]naphthalen-2-yl]-3,8-dihydroxy-6-methyl-4-propan-2-yl-1-[(pyridin-4-ylmethylamino)methylidene]naphthalen-2-one is 698.3104 g/mol.
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