TL;DR: BAS 02032258 (CAS 1212322-25-2) is a chemical compound with molecular formula C13H12BrNO2 and molecular weight 293.00513 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3aS,4R,9bR)-8-bromo-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid
Also Known As: BAS 02032258, (3aR,4S,9bS)-8-bromo-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid, (3aS,4R,9bR)-8-bromo-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid
| Molecular Formula | C13H12BrNO2 |
| Molecular Weight | 293.00513 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 49.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 293.00513 Da |
| Heavy Atoms | 17 |
| Complexity | 357.0 |
| SMILES | C1C=C[C@@H]2[C@H]1[C@@H](NC3=C2C=C(C=C3)Br)C(=O)O |
| InChIKey | REGZZMYIDMVSBE-VDDIYKPWSA-N |
The XLogP value of 3.2 indicates that BAS 02032258 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.3 Ų, BAS 02032258 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 02032258 has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of BAS 02032258 is 1212322-25-2.
The molecular formula of BAS 02032258 is C13H12BrNO2.
The molecular weight of BAS 02032258 is 293.00513 g/mol.
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