Y 25130
TL;DR: Y 25130 (CAS 123040-16-4) is a chemical compound with molecular formula C17H21Cl2N3O3 and molecular weight 385.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide;hydrochloride
Also Known As: azasetron hydrochloride, Azasetron HCl, Azasetron, Serotone, Nazasetron
| Molecular Formula | C17H21Cl2N3O3 |
|---|---|
| Molecular Weight | 385.10 g/mol |
| LogP | 1.94 |
| Topological Polar Surface Area | 61.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 385.096 |
| Heavy Atoms | 25 |
| Complexity | 523.0 |
Chemical Identifiers
| CAS Number | 123040-16-4 |
|---|---|
| SMILES | CN1C(=O)COC2=C(C=C(C=C21)Cl)C(=O)NC3CN4CCC3CC4.Cl |
| InChIKey | DBMKBKPJYAHLQP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Y 25130 (CAS 123040-16-4), with molecular formula C17H21Cl2N3O3 and molecular weight 385.10 g/mol. IUPAC: N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide;hydrochloride.
Chemical Property Profile of Y 25130
Property Insights of Y 25130
The XLogP value of 1.94 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Y 25130. The TPSA of 61.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Y 25130. Following Lipinski's Rule of Five, Y 25130 has 2 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 Y 25130?
The CAS number of Y 25130 is 123040-16-4.
What is the molecular formula of Y 25130?
The molecular formula of Y 25130 is C17H21Cl2N3O3.
What is the molecular weight of Y 25130?
The molecular weight of Y 25130 is 385.10 g/mol.
Where can I buy Y 25130?
You can request a quote for Y 25130 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Y 25130?
Yes, KEHONG BIO provides custom synthesis services for Y 25130 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.