Theophylline, 8-ethyl-7-(2-hydroxyethoxy)-
TL;DR: Theophylline, 8-ethyl-7-(2-hydroxyethoxy)- (CAS 22610-18-0) is a chemical compound with molecular formula C11H16N4O4 and molecular weight 268.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-ethyl-7-(2-hydroxyethoxy)-1,3-dimethylpurine-2,6-dione
Also Known As: Theophylline, 8-ethyl-7-(2-hydroxyethoxy)-, 8-Ethyl-7-(2-hydroxyethoxy)theophylline, 7-(beta-Hydroxyaethoxy)-8-aethyltheophyllin, 7-(beta-Hydroxyaethoxy)-8-aethyltheophyllin [German], 8-ethyl-7-(2-hydroxyethoxy)-1,3-dimethylpurine-2,6-dione
| Molecular Formula | C11H16N4O4 |
|---|---|
| Molecular Weight | 268.12 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 87.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 268.11716 |
| Heavy Atoms | 19 |
| Complexity | 378.0 |
Chemical Identifiers
| CAS Number | 22610-18-0 |
|---|---|
| SMILES | CCC1=NC2=C(N1OCCO)C(=O)N(C(=O)N2C)C |
| InChIKey | YVSBJGOLSVDHHT-UHFFFAOYSA-N |
Product Overview
Theophylline, 8-ethyl-7-(2-hydroxyethoxy)- (CAS 22610-18-0), with molecular formula C11H16N4O4 and molecular weight 268.12 g/mol. IUPAC: 8-ethyl-7-(2-hydroxyethoxy)-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of Theophylline, 8-ethyl-7-(2-hydroxyethoxy)-
Property Insights of Theophylline, 8-ethyl-7-(2-hydroxyethoxy)-
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Theophylline, 8-ethyl-7-(2-hydroxyethoxy)-. The TPSA of 87.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Theophylline, 8-ethyl-7-(2-hydroxyethoxy)-. Following Lipinski's Rule of Five, Theophylline, 8-ethyl-7-(2-hydroxyethoxy)- has 1 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 Theophylline, 8-ethyl-7-(2-hydroxyethoxy)-?
The CAS number of Theophylline, 8-ethyl-7-(2-hydroxyethoxy)- is 22610-18-0.
What is the molecular formula of Theophylline, 8-ethyl-7-(2-hydroxyethoxy)-?
The molecular formula of Theophylline, 8-ethyl-7-(2-hydroxyethoxy)- is C11H16N4O4.
What is the molecular weight of Theophylline, 8-ethyl-7-(2-hydroxyethoxy)-?
The molecular weight of Theophylline, 8-ethyl-7-(2-hydroxyethoxy)- is 268.12 g/mol.
Where can I buy Theophylline, 8-ethyl-7-(2-hydroxyethoxy)-?
You can request a quote for Theophylline, 8-ethyl-7-(2-hydroxyethoxy)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Theophylline, 8-ethyl-7-(2-hydroxyethoxy)-?
Yes, KEHONG BIO provides custom synthesis services for Theophylline, 8-ethyl-7-(2-hydroxyethoxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.