TL;DR: N-[(7S)-10-[2,2-dimethoxyethyl(methyl)amino]-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide (CAS 1212452-15-7) is a chemical compound with molecular formula C26H34N2O7 and molecular weight 486.2366 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(7S)-10-[2,2-dimethoxyethyl(methyl)amino]-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
Also Known As: N-[(7S)-10-[2,2-dimethoxyethyl(methyl)amino]-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide, (S)-N-(10-((2,2-dimethoxyethyl)(methyl)amino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide, N-[(7S)-10-[2,2-dimethoxyethyl(methyl)amino]-1,2,3-trimethoxy-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl]ethanamide, N-[(7S)-10-[2,2-dimethoxyethyl(methyl)amino]-9-keto-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
| Molecular Formula | C26H34N2O7 |
| Molecular Weight | 486.2366 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 95.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 486.2366 Da |
| Heavy Atoms | 35 |
| Complexity | 864.0 |
| SMILES | CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)N(C)CC(OC)OC)OC)OC)OC |
| InChIKey | ADNUCILXLLUQAP-IBGZPJMESA-N |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(7S)-10-[2,2-dimethoxyethyl(methyl)amino]-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide. The TPSA of 95.6 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(7S)-10-[2,2-dimethoxyethyl(methyl)amino]-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide. Following Lipinski's Rule of Five, N-[(7S)-10-[2,2-dimethoxyethyl(methyl)amino]-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-[(7S)-10-[2,2-dimethoxyethyl(methyl)amino]-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide is 1212452-15-7.
The molecular formula of N-[(7S)-10-[2,2-dimethoxyethyl(methyl)amino]-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide is C26H34N2O7.
The molecular weight of N-[(7S)-10-[2,2-dimethoxyethyl(methyl)amino]-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide is 486.2366 g/mol.
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