TL;DR: 4,7-dimethyl-3,11-dioxatetracyclo[8.7.0.0^{2,6}.0^{12,17}]heptadeca-2(6),4,7,9,12(17),13,15-heptaen-1-ylium perchlorate (CAS 151756-90-0) is a chemical compound with molecular formula C17H13ClO6 and molecular weight 348.04007 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,7-dimethyl-3-oxa-11-oxoniatetracyclo[8.7.0.02,6.012,17]heptadeca-1,4,6,8,10,12,14,16-octaene perchlorate
Also Known As: 4,7-dimethyl-3,11-dioxatetracyclo[8.7.0.0^{2,6}.0^{12,17}]heptadeca-2(6),4,7,9,12(17),13,15-heptaen-1-ylium perchlorate
| Molecular Formula | C17H13ClO6 |
| Molecular Weight | 348.04007 g/mol |
| XLogP | 0.42574 |
| Topological Polar Surface Area (TPSA) | 88.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 348.04007 Da |
| Heavy Atoms | 24 |
| Complexity | 438.0 |
| SMILES | CC1=C2C=C(OC2=C3C(=[O+]C4=CC=CC=C43)C=C1)C.[O-]Cl(=O)(=O)=O |
| InChIKey | KVWUBMWHDIOIFP-UHFFFAOYSA-M |
The XLogP value of 0.42574 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,7-dimethyl-3,11-dioxatetracyclo[8.7.0.0^{2,6}.0^{12,17}]heptadeca-2(6),4,7,9,12(17),13,15-heptaen-1-ylium perchlorate. The TPSA of 88.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,7-dimethyl-3,11-dioxatetracyclo[8.7.0.0^{2,6}.0^{12,17}]heptadeca-2(6),4,7,9,12(17),13,15-heptaen-1-ylium perchlorate. Following Lipinski's Rule of Five, 4,7-dimethyl-3,11-dioxatetracyclo[8.7.0.0^{2,6}.0^{12,17}]heptadeca-2(6),4,7,9,12(17),13,15-heptaen-1-ylium perchlorate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4,7-dimethyl-3,11-dioxatetracyclo[8.7.0.0^{2,6}.0^{12,17}]heptadeca-2(6),4,7,9,12(17),13,15-heptaen-1-ylium perchlorate is 151756-90-0.
The molecular formula of 4,7-dimethyl-3,11-dioxatetracyclo[8.7.0.0^{2,6}.0^{12,17}]heptadeca-2(6),4,7,9,12(17),13,15-heptaen-1-ylium perchlorate is C17H13ClO6.
The molecular weight of 4,7-dimethyl-3,11-dioxatetracyclo[8.7.0.0^{2,6}.0^{12,17}]heptadeca-2(6),4,7,9,12(17),13,15-heptaen-1-ylium perchlorate is 348.04007 g/mol.
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