TL;DR: (7S)-1,2,3-trimethoxy-10-[2-(2-methoxyphenyl)ethylamino]-7-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one (CAS 1212189-09-7) is a chemical compound with molecular formula C29H34N2O5 and molecular weight 490.24677 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(7S)-1,2,3-trimethoxy-10-[2-(2-methoxyphenyl)ethylamino]-7-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one
Also Known As: (7S)-1,2,3-trimethoxy-10-[2-(2-methoxyphenyl)ethylamino]-7-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one, (7S)-1,2,3-trimethoxy-10-{[2-(2-methoxyphenyl)ethyl]amino}-7-(methylamino)-6,7-dihydrobenzo[a]heptalen-9(5H)-one, (S)-1,2,3-trimethoxy-10-((2-methoxyphenethyl)amino)-7-(methylamino)-6,7-dihydrobenzo[a]heptalen-9(5H)-one
| Molecular Formula | C29H34N2O5 |
| Molecular Weight | 490.24677 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 78.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 490.24677 Da |
| Heavy Atoms | 36 |
| Complexity | 853.0 |
| SMILES | CN[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)NCCC4=CC=CC=C4OC)OC)OC)OC |
| InChIKey | KMSVSSASDACYAY-QFIPXVFZSA-N |
The XLogP value of 3.3 indicates that (7S)-1,2,3-trimethoxy-10-[2-(2-methoxyphenyl)ethylamino]-7-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (7S)-1,2,3-trimethoxy-10-[2-(2-methoxyphenyl)ethylamino]-7-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one. Following Lipinski's Rule of Five, (7S)-1,2,3-trimethoxy-10-[2-(2-methoxyphenyl)ethylamino]-7-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one has 2 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 (7S)-1,2,3-trimethoxy-10-[2-(2-methoxyphenyl)ethylamino]-7-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one is 1212189-09-7.
The molecular formula of (7S)-1,2,3-trimethoxy-10-[2-(2-methoxyphenyl)ethylamino]-7-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one is C29H34N2O5.
The molecular weight of (7S)-1,2,3-trimethoxy-10-[2-(2-methoxyphenyl)ethylamino]-7-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one is 490.24677 g/mol.
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