TL;DR: (S)-N-(1,2,3-trimethoxy-10-((4-methoxyphenethyl)amino)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide (CAS 1212083-25-4) is a chemical compound with molecular formula C30H34N2O6 and molecular weight 518.2417 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(7S)-1,2,3-trimethoxy-10-[2-(4-methoxyphenyl)ethylamino]-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
Also Known As: (S)-N-(1,2,3-trimethoxy-10-((4-methoxyphenethyl)amino)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide, N-[(7S)-1,2,3-trimethoxy-10-[2-(4-methoxyphenyl)ethylamino]-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide, N-[(7S)-1,2,3-trimethoxy-10-{[2-(4-methoxyphenyl)ethyl]amino}-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide
| Molecular Formula | C30H34N2O6 |
| Molecular Weight | 518.2417 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 95.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 518.2417 Da |
| Heavy Atoms | 38 |
| Complexity | 935.0 |
| SMILES | CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)NCCC4=CC=C(C=C4)OC)OC)OC)OC |
| InChIKey | QBLKQTWGJQNKCE-DEOSSOPVSA-N |
The XLogP value of 4.0 indicates that (S)-N-(1,2,3-trimethoxy-10-((4-methoxyphenethyl)amino)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-N-(1,2,3-trimethoxy-10-((4-methoxyphenethyl)amino)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide. Following Lipinski's Rule of Five, (S)-N-(1,2,3-trimethoxy-10-((4-methoxyphenethyl)amino)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (S)-N-(1,2,3-trimethoxy-10-((4-methoxyphenethyl)amino)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide is 1212083-25-4.
The molecular formula of (S)-N-(1,2,3-trimethoxy-10-((4-methoxyphenethyl)amino)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide is C30H34N2O6.
The molecular weight of (S)-N-(1,2,3-trimethoxy-10-((4-methoxyphenethyl)amino)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide is 518.2417 g/mol.
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