7-(2',2'-Diethoxyethyl)theophylline
TL;DR: 7-(2',2'-Diethoxyethyl)theophylline (CAS 43135-57-5) is a chemical compound with molecular formula C13H20N4O4 and molecular weight 296.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(2,2-diethoxyethyl)-1,3-dimethylpurine-2,6-dione
Also Known As: Doxofylline Impurity 9, Doxofylline Impurity 13, Doxofylline Impurity 40, 7-(2',2'-Diethoxyethyl)theophylline, 7-(2',2'-Diethoxyethyl)theophylline1111
| Molecular Formula | C13H20N4O4 |
|---|---|
| Molecular Weight | 296.15 g/mol |
| LogP | -0.1672 |
| Topological Polar Surface Area | 80.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 296.14847 |
| Heavy Atoms | 21 |
| Complexity | 736.9348 |
Chemical Identifiers
| CAS Number | 43135-57-5 |
|---|---|
| SMILES | CCOC(CN1C=NC2=C1C(=O)N(C(=O)N2C)C)OCC |
Product Overview
7-(2',2'-Diethoxyethyl)theophylline (CAS 43135-57-5), with molecular formula C13H20N4O4 and molecular weight 296.15 g/mol. IUPAC: 7-(2,2-diethoxyethyl)-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 7-(2',2'-Diethoxyethyl)theophylline
Property Insights of 7-(2',2'-Diethoxyethyl)theophylline
The XLogP value of -0.1672 indicates that 7-(2',2'-Diethoxyethyl)theophylline is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 80.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(2',2'-Diethoxyethyl)theophylline. Following Lipinski's Rule of Five, 7-(2',2'-Diethoxyethyl)theophylline has 0 hydrogen bond donor(s) and 5 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 7-(2',2'-Diethoxyethyl)theophylline?
The CAS number of 7-(2',2'-Diethoxyethyl)theophylline is 43135-57-5.
What is the molecular formula of 7-(2',2'-Diethoxyethyl)theophylline?
The molecular formula of 7-(2',2'-Diethoxyethyl)theophylline is C13H20N4O4.
What is the molecular weight of 7-(2',2'-Diethoxyethyl)theophylline?
The molecular weight of 7-(2',2'-Diethoxyethyl)theophylline is 296.15 g/mol.
Where can I buy 7-(2',2'-Diethoxyethyl)theophylline?
You can request a quote for 7-(2',2'-Diethoxyethyl)theophylline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-(2',2'-Diethoxyethyl)theophylline?
Yes, KEHONG BIO provides custom synthesis services for 7-(2',2'-Diethoxyethyl)theophylline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.