Theofibrate
TL;DR: Theofibrate (CAS 54504-70-0) is a chemical compound with molecular formula C19H21ClN4O5 and molecular weight 420.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl 2-(4-chlorophenoxy)-2-methylpropanoate
Also Known As: Etofylline clofibrate, THEOFIBRATE, Duolip, Etofyllinclofibrate, cabergoline
| Molecular Formula | C19H21ClN4O5 |
|---|---|
| Molecular Weight | 420.12 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 94.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 420.12006 |
| Heavy Atoms | 29 |
| Complexity | 653.0 |
Chemical Identifiers
| CAS Number | 54504-70-0 |
|---|---|
| SMILES | CC(C)(C(=O)OCCN1C=NC2=C1C(=O)N(C(=O)N2C)C)OC3=CC=C(C=C3)Cl |
| InChIKey | KYAKGJDISSNVPZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Theofibrate (CAS 54504-70-0), with molecular formula C19H21ClN4O5 and molecular weight 420.12 g/mol. IUPAC: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl 2-(4-chlorophenoxy)-2-methylpropanoate.
Chemical Property Profile of Theofibrate
Property Insights of Theofibrate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Theofibrate. The TPSA of 94.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Theofibrate. Following Lipinski's Rule of Five, Theofibrate has 0 hydrogen bond donor(s) and 6 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 Theofibrate?
The CAS number of Theofibrate is 54504-70-0.
What is the molecular formula of Theofibrate?
The molecular formula of Theofibrate is C19H21ClN4O5.
What is the molecular weight of Theofibrate?
The molecular weight of Theofibrate is 420.12 g/mol.
Where can I buy Theofibrate?
You can request a quote for Theofibrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Theofibrate?
Yes, KEHONG BIO provides custom synthesis services for Theofibrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.