TL;DR: BAS 08812309 (CAS 1005060-03-6) is a chemical compound with molecular formula C16H14FNO4 and molecular weight 303.0907 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(2-fluorophenyl)methyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylic acid
Also Known As: BAS 08812309, 2-(2-fluorobenzyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid, AM-760/42986000, 3-[(2-Fluorophenyl)methyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylic acid, 3-(2-fluorobenzyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-6-carboxylic acid
| Molecular Formula | C16H14FNO4 |
| Molecular Weight | 303.0907 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 66.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 303.0907 Da |
| Heavy Atoms | 22 |
| Complexity | 550.0 |
| SMILES | C1C23C=CC(O2)C(C3C(=O)N1CC4=CC=CC=C4F)C(=O)O |
| InChIKey | NRDULVCAICMSGX-UHFFFAOYSA-N |
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 08812309. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 08812309. Following Lipinski's Rule of Five, BAS 08812309 has 1 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 BAS 08812309 is 1005060-03-6.
The molecular formula of BAS 08812309 is C16H14FNO4.
The molecular weight of BAS 08812309 is 303.0907 g/mol.
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