TL;DR: 3,7,11,18,22,26-Hexaazatricyclo[26.2.2.213,16]tetratriaconta-13,15,28,30,31,33-hexaene (CAS 124481-62-5) is a chemical compound with molecular formula C28H46N6 and molecular weight 466.3784 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,7,11,18,22,26-hexazatricyclo[26.2.2.213,16]tetratriaconta-1(31),13,15,28(32),29,33-hexaene
Also Known As: 3,7,11,18,22,26-Hexaazatricyclo[26.2.2.213,16]tetratriaconta-13,15,28,30,31,33-hexaene, J1.206.332F, AE-842/30092002, 3,7,11,18,22,26-hexazatricyclo[26.2.2.213,16]tetratriaconta-1(31),13,15,28(32),29,33-hexaene, 3,7,11,15,19,23-Hexaaza-1,13(1,4)-dibenzenacyclotetracosaphane
| Molecular Formula | C28H46N6 |
| Molecular Weight | 466.3784 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 72.2 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 466.3784 Da |
| Heavy Atoms | 34 |
| Complexity | 378.0 |
| SMILES | C1CNCCCNCC2=CC=C(CNCCCNCCCNCC3=CC=C(CNC1)C=C3)C=C2 |
| InChIKey | QSDRINUOZNLAKB-UHFFFAOYSA-N |
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,7,11,18,22,26-Hexaazatricyclo[26.2.2.213,16]tetratriaconta-13,15,28,30,31,33-hexaene. The TPSA of 72.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,7,11,18,22,26-Hexaazatricyclo[26.2.2.213,16]tetratriaconta-13,15,28,30,31,33-hexaene. Following Lipinski's Rule of Five, 3,7,11,18,22,26-Hexaazatricyclo[26.2.2.213,16]tetratriaconta-13,15,28,30,31,33-hexaene has 6 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 3,7,11,18,22,26-Hexaazatricyclo[26.2.2.213,16]tetratriaconta-13,15,28,30,31,33-hexaene is 124481-62-5.
The molecular formula of 3,7,11,18,22,26-Hexaazatricyclo[26.2.2.213,16]tetratriaconta-13,15,28,30,31,33-hexaene is C28H46N6.
The molecular weight of 3,7,11,18,22,26-Hexaazatricyclo[26.2.2.213,16]tetratriaconta-13,15,28,30,31,33-hexaene is 466.3784 g/mol.
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