TL;DR: BIBB 515 (CAS 156635-05-1) is a chemical compound with molecular formula C22H21ClN2O2 and molecular weight 380.12915 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-chlorophenyl)-[4-[[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]methylidene]piperidin-1-yl]methanone
Also Known As: BIBB 515, 1-(4-Chlorobenzoyl)-4-((4-(2-oxazolin-2-yl) benzylidene))piperidine, Methanone, (4-chlorophenyl)[4-[[4-(4,5-dihydro-2-oxazolyl)phenyl]methylene]-1-piperidinyl]-, Piperidine, 1-(4-chlorobenzoyl)-4-((4-(4,5-dihydro-2-oxazolyl)phenyl)methylene)-, (4-chlorophenyl)-[4-[[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]methylidene]piperidin-1-yl]methanone
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C22H21ClN2O2 |
| Molecular Weight | 380.12915 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 41.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 380.12915 Da |
| Heavy Atoms | 27 |
| Complexity | 577.0 |
| SMILES | C1CN(CCC1=CC2=CC=C(C=C2)C3=NCCO3)C(=O)C4=CC=C(C=C4)Cl |
| InChIKey | JQNWPWUJMRAASQ-UHFFFAOYSA-N |
The XLogP value of 3.8 indicates that BIBB 515 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.9 Ų, BIBB 515 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BIBB 515 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 BIBB 515 is 156635-05-1.
The molecular formula of BIBB 515 is C22H21ClN2O2.
The molecular weight of BIBB 515 is 380.12915 g/mol.
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