TL;DR: (+)-Aschantin (CAS 13060-15-6) is a chemical compound with molecular formula C22H24O7 and molecular weight 400.1522 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[(3S,3aR,6S,6aR)-6-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-1,3-benzodioxole
Also Known As: Aschantin, (+)-Aschantin, Sulphenazone, Ashantin, MEGxp0_000713
| Molecular Formula | C22H24O7 |
| Molecular Weight | 400.1522 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 64.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.1522 Da |
| Heavy Atoms | 29 |
| Complexity | 545.0 |
| SMILES | COC1=CC(=CC(=C1OC)OC)[C@@H]2[C@H]3CO[C@@H]([C@H]3CO2)C4=CC5=C(C=C4)OCO5 |
| InChIKey | ONDWGDNAFRAXCN-VUEDXXQZSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (+)-Aschantin. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (+)-Aschantin. Following Lipinski's Rule of Five, (+)-Aschantin has 0 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 (+)-Aschantin is 13060-15-6.
The molecular formula of (+)-Aschantin is C22H24O7.
The molecular weight of (+)-Aschantin is 400.1522 g/mol.
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