TL;DR: hexabenzyl[?] (CAS 124782-15-6) is a chemical compound with molecular formula C48H48N6 and molecular weight 708.39404 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,4,6,8,10,12-hexabenzyl-2,4,6,8,10,12-hexazatetracyclo[5.5.0.03,11.05,9]dodecane
Also Known As: hexabenzyl[?], Hexabenzilisovyurtsitan, Hexabenzylhexaazaisowurtzitane, RCL S32817, HEXABENZYLHEXAAZISOWURTZITANE
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C48H48N6 |
| Molecular Weight | 708.39404 g/mol |
| XLogP | 9.5 |
| Topological Polar Surface Area (TPSA) | 19.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 708.39404 Da |
| Heavy Atoms | 54 |
| Complexity | 1000.0 |
| SMILES | C1=CC=C(C=C1)CN2C3C4N(C5C(N4CC6=CC=CC=C6)N(C(C2N5CC7=CC=CC=C7)N3CC8=CC=CC=C8)CC9=CC=CC=C9)CC1=CC=CC=C1 |
| InChIKey | IUKZSMGVHPBEHK-UHFFFAOYSA-N |
The XLogP value of 9.5 indicates that hexabenzyl[?] is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 19.4 Ų, hexabenzyl[?] exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, hexabenzyl[?] has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of hexabenzyl[?] is 124782-15-6.
The molecular formula of hexabenzyl[?] is C48H48N6.
The molecular weight of hexabenzyl[?] is 708.39404 g/mol.
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