阿扎司琼
TL;DR: 阿扎司琼 (CAS 123040-69-7) is a chemical compound with molecular formula C17H20ClN3O3 and molecular weight 349.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
阿扎司琼
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
| Molecular Formula | C17H20ClN3O3 |
|---|---|
| Molecular Weight | 349.12 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 61.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 349.11932 |
| Heavy Atoms | 24 |
| Complexity | 523.0 |
Chemical Identifiers
| CAS Number | 123040-69-7 |
|---|---|
| SMILES | CN1C(=O)COC2=C(C=C(C=C21)Cl)C(=O)NC3CN4CCC3CC4 |
| InChIKey | WUKZPHOXUVCQOR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
阿扎司琼 (CAS 123040-69-7), with molecular formula C17H20ClN3O3 and molecular weight 349.12 g/mol. IUPAC: N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide.
Chemical Property Profile of 阿扎司琼
Property Insights of 阿扎司琼
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 阿扎司琼. The TPSA of 61.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 阿扎司琼. Following Lipinski's Rule of Five, 阿扎司琼 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
Frequently Asked Questions
What is the CAS number of 阿扎司琼?
The CAS number of 阿扎司琼 is 123040-69-7.
What is the molecular formula of 阿扎司琼?
The molecular formula of 阿扎司琼 is C17H20ClN3O3.
What is the molecular weight of 阿扎司琼?
The molecular weight of 阿扎司琼 is 349.12 g/mol.
Where can I buy 阿扎司琼?
You can request a quote for 阿扎司琼 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 阿扎司琼?
Yes, KEHONG BIO provides custom synthesis services for 阿扎司琼 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.