TL;DR: Win 64821 (CAS 150881-27-9) is a chemical compound with molecular formula C40H36N6O4 and molecular weight 664.2798 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1R,4S,7S,9R)-4-benzyl-9-[(1R,4S,7S,9R)-4-benzyl-3,6-dioxo-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-trien-9-yl]-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
Also Known As: Win 64821, (+)-Win 64821, (+)-Win-64821, Q 20547A, Q-20547A
| Molecular Formula | C40H36N6O4 |
| Molecular Weight | 664.2798 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 123.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 664.2798 Da |
| Heavy Atoms | 50 |
| Complexity | 1310.0 |
| SMILES | C1[C@H]2C(=O)N[C@H](C(=O)N2[C@@H]3[C@]1(C4=CC=CC=C4N3)[C@]56C[C@H]7C(=O)N[C@H](C(=O)N7[C@H]5NC8=CC=CC=C68)CC9=CC=CC=C9)CC1=CC=CC=C1 |
| InChIKey | ZEANERNKMXBETI-BJHDJDSNSA-N |
The XLogP value of 5.2 indicates that Win 64821 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Win 64821. Following Lipinski's Rule of Five, Win 64821 has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Win 64821 is 150881-27-9.
The molecular formula of Win 64821 is C40H36N6O4.
The molecular weight of Win 64821 is 664.2798 g/mol.
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