TL;DR: Bmy 22089 (CAS 118845-59-3) is a chemical compound with molecular formula C23H20F2N4O3 and molecular weight 438.15036 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4R,6S)-6-[(1E)-4,4-bis(4-fluorophenyl)-3-(1-methyltetrazol-5-yl)buta-1,3-dienyl]-4-hydroxyoxan-2-one
Also Known As: Bmy 22089, (+/-)-Bmy 22089, 2H-Pyran-2-one, 6-((1E)-4,4-bis(4-fluorophenyl)-3-(1-methyl-1H-tetrazol-5-yl)-1,3-butadien-1-yl)tetrahydro-4-hydroxy-, (4R,6S)-rel-, (4R)-Tetrahydro-4alpha-hydroxy-6alpha-[(E)-4,4-bis(4-fluorophenyl)-3-(1-methyl-1H-tetrazol-5-yl)-1,3-butadie, (4R,6S)-6-[(1E)-4,4-bis(4-fluorophenyl)-3-(1-methyltetrazol-5-yl)buta-1,3-dienyl]-4-hydroxyoxan-2-one
| Molecular Formula | C23H20F2N4O3 |
| Molecular Weight | 438.15036 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 90.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 438.15036 Da |
| Heavy Atoms | 32 |
| Complexity | 694.0 |
| SMILES | CN1C(=NN=N1)C(=C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)/C=C/[C@@H]4C[C@H](CC(=O)O4)O |
| InChIKey | VIMMECPCYZXUCI-MMKWGKFASA-N |
The XLogP value of 4.0 indicates that Bmy 22089 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Bmy 22089. Following Lipinski's Rule of Five, Bmy 22089 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Bmy 22089 is 118845-59-3.
The molecular formula of Bmy 22089 is C23H20F2N4O3.
The molecular weight of Bmy 22089 is 438.15036 g/mol.
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