TL;DR: (S)-N-(10-((5-hydroxypentyl)amino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide (CAS 1173669-42-5) is a chemical compound with molecular formula C26H34N2O6 and molecular weight 470.2417 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(7S)-10-(5-hydroxypentylamino)-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
Also Known As: (S)-N-(10-((5-hydroxypentyl)amino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide, N-[(7S)-10-(5-hydroxypentylamino)-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide, N-{(7S)-10-[(5-hydroxypentyl)amino]-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl}acetamide
| Molecular Formula | C26H34N2O6 |
| Molecular Weight | 470.2417 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 106.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 470.2417 Da |
| Heavy Atoms | 34 |
| Complexity | 820.0 |
| SMILES | CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)NCCCCCO)OC)OC)OC |
| InChIKey | OHLSNMOIBNOXKK-FQEVSTJZSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-N-(10-((5-hydroxypentyl)amino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-N-(10-((5-hydroxypentyl)amino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide. Following Lipinski's Rule of Five, (S)-N-(10-((5-hydroxypentyl)amino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide has 3 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 (S)-N-(10-((5-hydroxypentyl)amino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide is 1173669-42-5.
The molecular formula of (S)-N-(10-((5-hydroxypentyl)amino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide is C26H34N2O6.
The molecular weight of (S)-N-(10-((5-hydroxypentyl)amino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide is 470.2417 g/mol.
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