BAY-Y-3118 free base
TL;DR: BAY-Y-3118 free base (CAS 151213-16-0) is a chemical compound with molecular formula C20H21ClFN3O3 and molecular weight 405.12555 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-8-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
Also Known As: BAY-Y-3118 free base, Bay-Y 3118, Bay y 3118, Bay Y3118, Bay-Y3118
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C20H21ClFN3O3 |
| Molecular Weight | 405.12555 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 72.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 405.12555 Da |
| Heavy Atoms | 28 |
| Complexity | 715.0 |
| SMILES | C1C[C@H]2CN(C[C@H]2NC1)C3=C(C=C4C(=C3Cl)N(C=C(C4=O)C(=O)O)C5CC5)F |
| InChIKey | VRXORHRXNRJZCQ-ZUZCIYMTSA-N |
Chemical Property Profile of BAY-Y-3118 free base
Property Insights of BAY-Y-3118 free base
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAY-Y-3118 free base. The TPSA of 72.9 Ų falls within the moderate polarity range, balancing permeability and solubility for BAY-Y-3118 free base. Following Lipinski's Rule of Five, BAY-Y-3118 free base has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of BAY-Y-3118 free base?
The CAS number of BAY-Y-3118 free base is 151213-16-0.
What is the molecular formula of BAY-Y-3118 free base?
The molecular formula of BAY-Y-3118 free base is C20H21ClFN3O3.
What is the molecular weight of BAY-Y-3118 free base?
The molecular weight of BAY-Y-3118 free base is 405.12555 g/mol.
Where can I buy BAY-Y-3118 free base?
You can request a quote for BAY-Y-3118 free base directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for BAY-Y-3118 free base?
Yes, CoreyChem provides custom synthesis services for BAY-Y-3118 free base and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.