TL;DR: Benzo(a)heptalene-7,9-dione, 5,6-dihydro-3-hydroxy-1,2,10-trimethoxy- (CAS 129724-63-6) is a chemical compound with molecular formula C19H18O6 and molecular weight 342.11035 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-hydroxy-1,2,10-trimethoxy-5,6-dihydrobenzo[a]heptalene-7,9-dione
Also Known As: Benzo(a)heptalene-7,9-dione, 5,6-dihydro-3-hydroxy-1,2,10-trimethoxy-, 3-Hydroxy-1,2,10-trimethoxy-5,6-dihydrobenzo(a)heptalene-7,9-dione, 3-hydroxy-1,2,10-trimethoxy-5,6-dihydrobenzo[a]heptalene-7,9-dione
| Molecular Formula | C19H18O6 |
| Molecular Weight | 342.11035 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 82.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 342.11035 Da |
| Heavy Atoms | 25 |
| Complexity | 659.0 |
| SMILES | COC1=CC=C2C(=CC1=O)C(=O)CCC3=CC(=C(C(=C32)OC)OC)O |
| InChIKey | YRUFCPIDMWLUOB-UHFFFAOYSA-N |
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzo(a)heptalene-7,9-dione, 5,6-dihydro-3-hydroxy-1,2,10-trimethoxy-. The TPSA of 82.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzo(a)heptalene-7,9-dione, 5,6-dihydro-3-hydroxy-1,2,10-trimethoxy-. Following Lipinski's Rule of Five, Benzo(a)heptalene-7,9-dione, 5,6-dihydro-3-hydroxy-1,2,10-trimethoxy- 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 Benzo(a)heptalene-7,9-dione, 5,6-dihydro-3-hydroxy-1,2,10-trimethoxy- is 129724-63-6.
The molecular formula of Benzo(a)heptalene-7,9-dione, 5,6-dihydro-3-hydroxy-1,2,10-trimethoxy- is C19H18O6.
The molecular weight of Benzo(a)heptalene-7,9-dione, 5,6-dihydro-3-hydroxy-1,2,10-trimethoxy- is 342.11035 g/mol.
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