TL;DR: 4'-Aminodibenzo-18-crown-6 (CAS 126531-26-8) is a chemical compound with molecular formula C20H25NO6 and molecular weight 375.16818 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(26),9(14),10,12,22,24-hexaen-11-amine
Also Known As: 4'-Aminodibenzo-18-crown-6, 4/'-Aminodibenzo-18-crown-6, 4-Aminodibenzo-18-crown-6, 2-Amino dibenzo-18-crown-6, 4?-Aminodibenzo-18-crown-6
| Molecular Formula | C20H25NO6 |
| Molecular Weight | 375.16818 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 81.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 375.16818 Da |
| Heavy Atoms | 27 |
| Complexity | 399.0 |
| SMILES | C1COC2=C(C=C(C=C2)N)OCCOCCOC3=CC=CC=C3OCCO1 |
| InChIKey | FFYZYAKXQMHVQE-UHFFFAOYSA-N |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4'-Aminodibenzo-18-crown-6. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4'-Aminodibenzo-18-crown-6. Following Lipinski's Rule of Five, 4'-Aminodibenzo-18-crown-6 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4'-Aminodibenzo-18-crown-6 is 126531-26-8.
The molecular formula of 4'-Aminodibenzo-18-crown-6 is C20H25NO6.
The molecular weight of 4'-Aminodibenzo-18-crown-6 is 375.16818 g/mol.
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