TL;DR: 6,7,9,10,17,18,20,21-Octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine-2,3,13,14-tetraamine (CAS 122942-39-6) is a chemical compound with molecular formula C20H28N4O6 and molecular weight 420.2009 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaene-11,12,24,25-tetramine
Also Known As: 6,7,9,10,17,18,20,21-Octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine-2,3,13,14-tetraamine, J3.234.425I, 4',4'',5',5''-Tetraaminodibenzo[b,k]-1,4,7,10,13,16-hexaoxacyclooctadeca-2,11-diene, 2,5,8,15,18,21-hexaoxatricyclo[20.4.0.0?,(1)?]hexacosa-1(22),9(14),10,12,23,25-hexaene-11,12,24,25-tetramine, 2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaene-11,12,24,25-tetramine
| Molecular Formula | C20H28N4O6 |
| Molecular Weight | 420.2009 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 159.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 0 |
| Exact Mass | 420.2009 Da |
| Heavy Atoms | 30 |
| Complexity | 408.0 |
| SMILES | C1COC2=C(C=C(C(=C2)N)N)OCCOCCOC3=C(C=C(C(=C3)N)N)OCCO1 |
| InChIKey | VHKNDNAYRKYOFY-UHFFFAOYSA-N |
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,7,9,10,17,18,20,21-Octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine-2,3,13,14-tetraamine. The TPSA of 159.0 Ų indicates high polarity, suggesting 6,7,9,10,17,18,20,21-Octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine-2,3,13,14-tetraamine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6,7,9,10,17,18,20,21-Octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine-2,3,13,14-tetraamine has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 6,7,9,10,17,18,20,21-Octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine-2,3,13,14-tetraamine is 122942-39-6.
The molecular formula of 6,7,9,10,17,18,20,21-Octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine-2,3,13,14-tetraamine is C20H28N4O6.
The molecular weight of 6,7,9,10,17,18,20,21-Octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine-2,3,13,14-tetraamine is 420.2009 g/mol.
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