托洛沙酮
TL;DR: 托洛沙酮 (CAS 29218-27-7) is a chemical compound with molecular formula C11H13NO3 and molecular weight 207.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
托洛沙酮
5-(hydroxymethyl)-3-(3-methylphenyl)-1,3-oxazolidin-2-one
Also Known As: Toloxatone, Humoryl, Perenum, Toloxatona, Toloxatonum
| Molecular Formula | C11H13NO3 |
|---|---|
| Molecular Weight | 207.09 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 207.08954 |
| Heavy Atoms | 15 |
| Complexity | 244.0 |
| Boiling Point | 333 |
| Solubility | 0.0122 |
Chemical Identifiers
| CAS Number | 29218-27-7 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2CC(OC2=O)CO |
| InChIKey | MXUNKHLAEDCYJL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
托洛沙酮 (CAS 29218-27-7), with molecular formula C11H13NO3 and molecular weight 207.09 g/mol. IUPAC: 5-(hydroxymethyl)-3-(3-methylphenyl)-1,3-oxazolidin-2-one.
Chemical Property Profile of 托洛沙酮
Property Insights of 托洛沙酮
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 托洛沙酮. With a topological polar surface area (TPSA) of 49.8 Ų, 托洛沙酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 托洛沙酮 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 托洛沙酮?
The CAS number of 托洛沙酮 is 29218-27-7.
What is the molecular formula of 托洛沙酮?
The molecular formula of 托洛沙酮 is C11H13NO3.
What is the molecular weight of 托洛沙酮?
The molecular weight of 托洛沙酮 is 207.09 g/mol.
Where can I buy 托洛沙酮?
You can request a quote for 托洛沙酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 托洛沙酮?
Yes, KEHONG BIO provides custom synthesis services for 托洛沙酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.