Clotioxone
TL;DR: Clotioxone (CAS 21450-52-2) is a chemical compound with molecular formula C9H5Cl3N2O2S and molecular weight 309.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-phenyl-3-(trichloromethylsulfanyl)-1,3,4-oxadiazol-2-one
Also Known As: Clotioxone, Clotioxona, Clotioxonum, Clotioxone [INN:DCF], CLOTIOXONE [INN]
| Molecular Formula | C9H5Cl3N2O2S |
|---|---|
| Molecular Weight | 309.91 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 67.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 309.91373 |
| Heavy Atoms | 17 |
| Complexity | 340.0 |
Chemical Identifiers
| CAS Number | 21450-52-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NN(C(=O)O2)SC(Cl)(Cl)Cl |
| InChIKey | AGNRWZQXNQBVQZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Clotioxone (CAS 21450-52-2), with molecular formula C9H5Cl3N2O2S and molecular weight 309.91 g/mol. IUPAC: 5-phenyl-3-(trichloromethylsulfanyl)-1,3,4-oxadiazol-2-one.
Chemical Property Profile of Clotioxone
Property Insights of Clotioxone
The XLogP value of 4.0 indicates that Clotioxone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Clotioxone. Following Lipinski's Rule of Five, Clotioxone has 0 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 Clotioxone?
The CAS number of Clotioxone is 21450-52-2.
What is the molecular formula of Clotioxone?
The molecular formula of Clotioxone is C9H5Cl3N2O2S.
What is the molecular weight of Clotioxone?
The molecular weight of Clotioxone is 309.91 g/mol.
Where can I buy Clotioxone?
You can request a quote for Clotioxone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Clotioxone?
Yes, KEHONG BIO provides custom synthesis services for Clotioxone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.