TL;DR: Qianhucoumarin A (CAS 150138-78-6) is a chemical compound with molecular formula C19H20O6 and molecular weight 344.12598 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(9R,10R)-9-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] (E)-2-methylbut-2-enoate
Also Known As: Qianhucoumarin A, (-)-cis-4-tigloylkhellactone, 3-36-Neuropeptide Y (human), HY-N8632, 3'-Hydroxy-4'-tigloyloxy-3',4'-dihydroseslin
| Molecular Formula | C19H20O6 |
| Molecular Weight | 344.12598 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 82.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 344.12598 Da |
| Heavy Atoms | 25 |
| Complexity | 619.0 |
| SMILES | C/C=C(\C)/C(=O)O[C@H]1[C@H](C(OC2=C1C3=C(C=C2)C=CC(=O)O3)(C)C)O |
| InChIKey | QPLSCFLMIOADPA-AVTSYZAUSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Qianhucoumarin A. The TPSA of 82.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Qianhucoumarin A. Following Lipinski's Rule of Five, Qianhucoumarin A has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Qianhucoumarin A is 150138-78-6.
The molecular formula of Qianhucoumarin A is C19H20O6.
The molecular weight of Qianhucoumarin A is 344.12598 g/mol.
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