TL;DR: (S)-N-(1,2,3-trimethoxy-10-((4-methoxybenzyl)amino)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide (CAS 1212147-24-4) is a chemical compound with molecular formula C29H32N2O6 and molecular weight 504.22604 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(7S)-1,2,3-trimethoxy-10-[(4-methoxyphenyl)methylamino]-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
Also Known As: (S)-N-(1,2,3-trimethoxy-10-((4-methoxybenzyl)amino)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide, N-[(7S)-1,2,3-trimethoxy-10-[(4-methoxyphenyl)methylamino]-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide, N-{(7S)-1,2,3-trimethoxy-10-[(4-methoxybenzyl)amino]-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl}acetamide
| Molecular Formula | C29H32N2O6 |
| Molecular Weight | 504.22604 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 95.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 504.22604 Da |
| Heavy Atoms | 37 |
| Complexity | 919.0 |
| SMILES | CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)NCC4=CC=C(C=C4)OC)OC)OC)OC |
| InChIKey | VCXSYTQSVUMHKO-QHCPKHFHSA-N |
The XLogP value of 3.6 indicates that (S)-N-(1,2,3-trimethoxy-10-((4-methoxybenzyl)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-methoxybenzyl)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-methoxybenzyl)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-methoxybenzyl)amino)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide is 1212147-24-4.
The molecular formula of (S)-N-(1,2,3-trimethoxy-10-((4-methoxybenzyl)amino)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide is C29H32N2O6.
The molecular weight of (S)-N-(1,2,3-trimethoxy-10-((4-methoxybenzyl)amino)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide is 504.22604 g/mol.
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