Azasetron
TL;DR: Azasetron (CAS 123040-69-7) is a chemical compound with molecular formula C17H20ClN3O3 and molecular weight 349.11932 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide
Also Known As: Azasetron, Nazasetron, Serotone, azasetronum, seroton
Application Areas
Top 5 of 13 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C17H20ClN3O3 |
| Molecular Weight | 349.11932 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 61.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 349.11932 Da |
| Heavy Atoms | 24 |
| Complexity | 523.0 |
| SMILES | CN1C(=O)COC2=C(C=C(C=C21)Cl)C(=O)NC3CN4CCC3CC4 |
| InChIKey | WUKZPHOXUVCQOR-UHFFFAOYSA-N |
Product Description
Applications: Azasetron is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Azasetron is a pharmaceutical intermediate identified by CAS number 123040-69-7 and the molecular formula C17H20ClN3O3 and a molecular weight of 349.12 g/mol. Synonyms include Azasetron and Nazasetron.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Azasetron
Property Insights of Azasetron
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Azasetron. The TPSA of 61.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Azasetron. Following Lipinski's Rule of Five, Azasetron has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Azasetron?
The CAS number of Azasetron is 123040-69-7.
What is the molecular formula of Azasetron?
The molecular formula of Azasetron is C17H20ClN3O3.
What is the molecular weight of Azasetron?
The molecular weight of Azasetron is 349.11932 g/mol.
What are the applications of Azasetron?
Azasetron is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy Azasetron?
You can request a quote for Azasetron directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Azasetron?
Yes, CoreyChem provides custom synthesis services for Azasetron and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.