TL;DR: C27H29N3O5 (CAS 1212284-64-4) is a chemical compound with molecular formula C27H29N3O5 and molecular weight 475.21072 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(7S)-1,2,3-trimethoxy-9-oxo-10-(pyridin-4-ylmethylamino)-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
Also Known As: (S)-N-(1,2,3-trimethoxy-9-oxo-10-((pyridin-4-ylmethyl)amino)-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide, N-[(7S)-1,2,3-trimethoxy-9-oxo-10-(pyridin-4-ylmethylamino)-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide, N-{(7S)-1,2,3-trimethoxy-9-oxo-10-[(pyridin-4-ylmethyl)amino]-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl}acetamide
| Molecular Formula | C27H29N3O5 |
| Molecular Weight | 475.21072 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 98.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 475.21072 Da |
| Heavy Atoms | 35 |
| Complexity | 876.0 |
| SMILES | CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)NCC4=CC=NC=C4)OC)OC)OC |
| InChIKey | XPODRVNBZIDZRY-NRFANRHFSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C27H29N3O5. The TPSA of 98.8 Ų falls within the moderate polarity range, balancing permeability and solubility for C27H29N3O5. Following Lipinski's Rule of Five, C27H29N3O5 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 C27H29N3O5 is 1212284-64-4.
The molecular formula of C27H29N3O5 is C27H29N3O5.
The molecular weight of C27H29N3O5 is 475.21072 g/mol.
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