TL;DR: AB00864227-06 (CAS 1212378-13-6) is a chemical compound with molecular formula C21H24N2O5 and molecular weight 384.16852 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1S,9R)-11-(3,4,5-trimethoxybenzoyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
Also Known As: AB00864227-06, (1R,5S)-3-(3,4,5-trimethoxybenzoyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one
| Molecular Formula | C21H24N2O5 |
| Molecular Weight | 384.16852 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 68.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 384.16852 Da |
| Heavy Atoms | 28 |
| Complexity | 676.0 |
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)N2C[C@H]3C[C@@H](C2)C4=CC=CC(=O)N4C3 |
| InChIKey | ZAWJPZQSFHYQBJ-HIFRSBDPSA-N |
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00864227-06. The TPSA of 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00864227-06. Following Lipinski's Rule of Five, AB00864227-06 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of AB00864227-06 is 1212378-13-6.
The molecular formula of AB00864227-06 is C21H24N2O5.
The molecular weight of AB00864227-06 is 384.16852 g/mol.
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