Demethyletofyllineclofibrate
TL;DR: Demethyletofyllineclofibrate (CAS 54504-75-5) is a chemical compound with molecular formula C18H19ClN4O5 and molecular weight 406.10 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)propanoate
Also Known As: Demethyletofyllineclofibrate, Propanoic acid, 2-(4-chlorophenoxy)-, 2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl ester, 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl 2-(4-chlorophenoxy)propanoate, 2-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)ethyl 2-(4-chlorophenoxy)propanoate, 2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)ethyl 2-(4-chlorophenoxy)propanoate
| Molecular Formula | C18H19ClN4O5 |
|---|---|
| Molecular Weight | 406.10 g/mol |
| LogP | 1.0978 |
| Topological Polar Surface Area | 97.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 406.1044 |
| Heavy Atoms | 28 |
| Complexity | 1129.814 |
Chemical Identifiers
| CAS Number | 54504-75-5 |
|---|---|
| SMILES | CC(C(=O)OCCN1C=NC2=C1C(=O)N(C(=O)N2C)C)OC3=CC=C(C=C3)Cl |
Product Overview
Demethyletofyllineclofibrate (CAS 54504-75-5), with molecular formula C18H19ClN4O5 and molecular weight 406.10 g/mol. IUPAC: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl 2-(4-chlorophenoxy)propanoate.
Chemical Property Profile of Demethyletofyllineclofibrate
Property Insights of Demethyletofyllineclofibrate
The XLogP value of 1.0978 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Demethyletofyllineclofibrate. The TPSA of 97.35 Ų falls within the moderate polarity range, balancing permeability and solubility for Demethyletofyllineclofibrate. Following Lipinski's Rule of Five, Demethyletofyllineclofibrate 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 Demethyletofyllineclofibrate?
The CAS number of Demethyletofyllineclofibrate is 54504-75-5.
What is the molecular formula of Demethyletofyllineclofibrate?
The molecular formula of Demethyletofyllineclofibrate is C18H19ClN4O5.
What is the molecular weight of Demethyletofyllineclofibrate?
The molecular weight of Demethyletofyllineclofibrate is 406.10 g/mol.
Where can I buy Demethyletofyllineclofibrate?
You can request a quote for Demethyletofyllineclofibrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Demethyletofyllineclofibrate?
Yes, KEHONG BIO provides custom synthesis services for Demethyletofyllineclofibrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.