TL;DR: Calphostin I (CAS 124857-59-6) is a chemical compound with molecular formula C44H38O14 and molecular weight 790.22614 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[3,10-dihydroxy-12-[2-(4-hydroxybenzoyl)oxypropyl]-2,6,7,11-tetramethoxy-4,9-dioxoperylen-1-yl]propan-2-yl 4-hydroxybenzoate
Also Known As: Calphostin I, Ucn 1028 I, UCN 1028I, UCN-1028I, 1-[3,10-dihydroxy-12-[2-(4-hydroxybenzoyl)oxypropyl]-2,6,7,11-tetramethoxy-4,9-dioxoperylen-1-yl]propan-2-yl 4-hydroxybenzoate
| Molecular Formula | C44H38O14 |
| Molecular Weight | 790.22614 g/mol |
| XLogP | 7.9 |
| Topological Polar Surface Area (TPSA) | 205.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 14 |
| Exact Mass | 790.22614 Da |
| Heavy Atoms | 58 |
| Complexity | 1480.0 |
| SMILES | CC(CC1=C2C3=C(C(=C(C4=C3C(=C5C2=C(C(=O)C=C5OC)C(=C1OC)O)C(=CC4=O)OC)O)OC)CC(C)OC(=O)C6=CC=C(C=C6)O)OC(=O)C7=CC=C(C=C7)O |
| InChIKey | HSJXAUQPKRJJOU-UHFFFAOYSA-N |
The XLogP value of 7.9 indicates that Calphostin I is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 205.0 Ų indicates high polarity, suggesting Calphostin I may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Calphostin I has 4 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Calphostin I is 124857-59-6.
The molecular formula of Calphostin I is C44H38O14.
The molecular weight of Calphostin I is 790.22614 g/mol.
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