扎托司琼
TL;DR: 扎托司琼 (CAS 123482-22-4) is a chemical compound with molecular formula C19H25ClN2O2 and molecular weight 348.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
扎托司琼
5-chloro-2,2-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3H-1-benzofuran-7-carboxamide
Also Known As: 3-Chlorobenzhydrazide, Zatosetron [INN:BAN], LY 277359 maleate, Zatosetronum [INN-Latin], LY 277359
| Molecular Formula | C19H25ClN2O2 |
|---|---|
| Molecular Weight | 348.16 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 348.16046 |
| Heavy Atoms | 24 |
| Complexity | 498.0 |
Chemical Identifiers
| CAS Number | 123482-22-4 |
|---|---|
| SMILES | CC1(CC2=C(O1)C(=CC(=C2)Cl)C(=O)NC3CC4CCC(C3)N4C)C |
| InChIKey | SPKBYQZELVEOLL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
扎托司琼 (CAS 123482-22-4), with molecular formula C19H25ClN2O2 and molecular weight 348.16 g/mol. IUPAC: 5-chloro-2,2-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3H-1-benzofuran-7-carboxamide.
Chemical Property Profile of 扎托司琼
Property Insights of 扎托司琼
The XLogP value of 3.7 indicates that 扎托司琼 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.6 Ų, 扎托司琼 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 扎托司琼 has 1 hydrogen bond donor(s) and 3 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 扎托司琼?
The CAS number of 扎托司琼 is 123482-22-4.
What is the molecular formula of 扎托司琼?
The molecular formula of 扎托司琼 is C19H25ClN2O2.
What is the molecular weight of 扎托司琼?
The molecular weight of 扎托司琼 is 348.16 g/mol.
Where can I buy 扎托司琼?
You can request a quote for 扎托司琼 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 扎托司琼?
Yes, KEHONG BIO provides custom synthesis services for 扎托司琼 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.