TL;DR: BAS 05044534 (CAS 163180-68-5) is a chemical compound with molecular formula C10H11NO4 and molecular weight 209.0688 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1S,5R,6R,7R)-3-methyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylic acid
Also Known As: BAS 05044534, 3-Methyl-4-oxo-10-oxa-3-aza-tricyclo[5.2.1.0*1,5*]dec-8-ene-6-carboxylic acid
| Molecular Formula | C10H11NO4 |
| Molecular Weight | 209.0688 g/mol |
| XLogP | -1.3 |
| Topological Polar Surface Area (TPSA) | 66.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 209.0688 Da |
| Heavy Atoms | 15 |
| Complexity | 391.0 |
| SMILES | CN1C[C@@]23C=C[C@@H](O2)[C@@H]([C@H]3C1=O)C(=O)O |
| InChIKey | DSGNMFPBRAMEKL-NBBQQVJHSA-N |
The XLogP value of -1.3 indicates that BAS 05044534 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 05044534. Following Lipinski's Rule of Five, BAS 05044534 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of BAS 05044534 is 163180-68-5.
The molecular formula of BAS 05044534 is C10H11NO4.
The molecular weight of BAS 05044534 is 209.0688 g/mol.
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