Trimethazone
TL;DR: Trimethazone (CAS 13221-27-7) is a chemical compound with molecular formula C22H24N2O3 and molecular weight 364.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4,4-dimethyl-3-oxopentyl)-1,2-diphenylpyrazolidine-3,5-dione
Also Known As: Tribuzone, Benetazon, Trimethazone, Trimetazon, Trimetazone
| Molecular Formula | C22H24N2O3 |
|---|---|
| Molecular Weight | 364.18 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 57.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 364.17868 |
| Heavy Atoms | 27 |
| Complexity | 533.0 |
Chemical Identifiers
| CAS Number | 13221-27-7 |
|---|---|
| SMILES | CC(C)(C)C(=O)CCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3 |
| InChIKey | OFVFGKQCUDMLLP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Trimethazone (CAS 13221-27-7), with molecular formula C22H24N2O3 and molecular weight 364.18 g/mol. IUPAC: 4-(4,4-dimethyl-3-oxopentyl)-1,2-diphenylpyrazolidine-3,5-dione.
Chemical Property Profile of Trimethazone
Property Insights of Trimethazone
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trimethazone. With a topological polar surface area (TPSA) of 57.7 Ų, Trimethazone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Trimethazone has 0 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 Trimethazone?
The CAS number of Trimethazone is 13221-27-7.
What is the molecular formula of Trimethazone?
The molecular formula of Trimethazone is C22H24N2O3.
What is the molecular weight of Trimethazone?
The molecular weight of Trimethazone is 364.18 g/mol.
Where can I buy Trimethazone?
You can request a quote for Trimethazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trimethazone?
Yes, KEHONG BIO provides custom synthesis services for Trimethazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.