TL;DR: BAS 00231860 (CAS 131447-42-2) is a chemical compound with molecular formula C15H14ClNO2 and molecular weight 275.07132 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-chloro-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-4-one
Also Known As: BAS 00231860, J1.420.269B, AE-848/30736027, 4-Chloro-6,7,8-(4-azaheptane-1,4,7-triyl)-2H-1-benzopyran-2-one, 8-Chloro-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-aza-benzo[de]anthracen-10-one
| Molecular Formula | C15H14ClNO2 |
| Molecular Weight | 275.07132 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 275.07132 Da |
| Heavy Atoms | 19 |
| Complexity | 436.0 |
| SMILES | C1CC2=CC3=C(C4=C2N(C1)CCC4)OC(=O)C=C3Cl |
| InChIKey | ZBFBHSBSSDBHBM-UHFFFAOYSA-N |
The XLogP value of 3.2 indicates that BAS 00231860 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, BAS 00231860 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00231860 has 0 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 00231860 is 131447-42-2.
The molecular formula of BAS 00231860 is C15H14ClNO2.
The molecular weight of BAS 00231860 is 275.07132 g/mol.
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