西莫沙酮
TL;DR: 西莫沙酮 (CAS 73815-11-9) is a chemical compound with molecular formula C19H18N2O4 and molecular weight 338.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
西莫沙酮
3-[[4-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]methyl]benzonitrile
Also Known As: Cimoxatone, Cimoxatonum, cimoxatona, Cimoxatono, Cimoxatone [INN]
| Molecular Formula | C19H18N2O4 |
|---|---|
| Molecular Weight | 338.13 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 71.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 338.12665 |
| Heavy Atoms | 25 |
| Complexity | 495.0 |
Chemical Identifiers
| CAS Number | 73815-11-9 |
|---|---|
| SMILES | COCC1CN(C(=O)O1)C2=CC=C(C=C2)OCC3=CC(=CC=C3)C#N |
| InChIKey | MVVJINIUPYKZHR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
西莫沙酮 (CAS 73815-11-9), with molecular formula C19H18N2O4 and molecular weight 338.13 g/mol. IUPAC: 3-[[4-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]methyl]benzonitrile.
Chemical Property Profile of 西莫沙酮
Property Insights of 西莫沙酮
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 西莫沙酮. The TPSA of 71.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 西莫沙酮. Following Lipinski's Rule of Five, 西莫沙酮 has 0 hydrogen bond donor(s) and 5 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 西莫沙酮?
The CAS number of 西莫沙酮 is 73815-11-9.
What is the molecular formula of 西莫沙酮?
The molecular formula of 西莫沙酮 is C19H18N2O4.
What is the molecular weight of 西莫沙酮?
The molecular weight of 西莫沙酮 is 338.13 g/mol.
Where can I buy 西莫沙酮?
You can request a quote for 西莫沙酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 西莫沙酮?
Yes, KEHONG BIO provides custom synthesis services for 西莫沙酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.