Bay y 3118
TL;DR: Bay y 3118 (CAS 144194-96-7) is a chemical compound with molecular formula C20H22Cl2FN3O3 and molecular weight 441.10223 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;hydrochloride
Also Known As: Bay y 3118, Bay Y3118, Bay-Y3118, Bay-Y 3118, BAY-Y-3118
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C20H22Cl2FN3O3 |
| Molecular Weight | 441.10223 g/mol |
| XLogP | 3.44 |
| Topological Polar Surface Area (TPSA) | 72.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 441.10223 Da |
| Heavy Atoms | 29 |
| 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.Cl |
| InChIKey | IDCUHOXUSMHTOK-OEQYQXMYSA-N |
Chemical Property Profile of Bay y 3118
Property Insights of Bay y 3118
The XLogP value of 3.44 indicates that Bay y 3118 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Bay y 3118. Following Lipinski's Rule of Five, Bay y 3118 has 3 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?
The CAS number of Bay y 3118 is 144194-96-7.
What is the molecular formula of Bay y 3118?
The molecular formula of Bay y 3118 is C20H22Cl2FN3O3.
What is the molecular weight of Bay y 3118?
The molecular weight of Bay y 3118 is 441.10223 g/mol.
Where can I buy Bay y 3118?
You can request a quote for Bay y 3118 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Bay y 3118?
Yes, CoreyChem provides custom synthesis services for Bay y 3118 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.