Theophylline, 8-ethyl-7-hydroxy-
TL;DR: Theophylline, 8-ethyl-7-hydroxy- (CAS 4227-23-0) is a chemical compound with molecular formula C9H12N4O3 and molecular weight 224.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-ethyl-7-hydroxy-1,3-dimethylpurine-2,6-dione
Also Known As: 8-Ethyl-7-hydroxytheophylline, Theophylline, 8-ethyl-7-hydroxy-, 7-Hydroxy-8-aethyltheophyllin, 7-Hydroxy-8-aethyltheophyllin [German], 7-Hydroxy-8-ethyl-theophyllin
| Molecular Formula | C9H12N4O3 |
|---|---|
| Molecular Weight | 224.09 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 78.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 224.09094 |
| Heavy Atoms | 16 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 4227-23-0 |
|---|---|
| SMILES | CCC1=NC2=C(N1O)C(=O)N(C(=O)N2C)C |
| InChIKey | ITRUVIVYASWBGL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Theophylline, 8-ethyl-7-hydroxy- (CAS 4227-23-0), with molecular formula C9H12N4O3 and molecular weight 224.09 g/mol. IUPAC: 8-ethyl-7-hydroxy-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of Theophylline, 8-ethyl-7-hydroxy-
Property Insights of Theophylline, 8-ethyl-7-hydroxy-
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Theophylline, 8-ethyl-7-hydroxy-. The TPSA of 78.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Theophylline, 8-ethyl-7-hydroxy-. Following Lipinski's Rule of Five, Theophylline, 8-ethyl-7-hydroxy- has 1 hydrogen bond donor(s) and 4 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-hydroxy-?
The CAS number of Theophylline, 8-ethyl-7-hydroxy- is 4227-23-0.
What is the molecular formula of Theophylline, 8-ethyl-7-hydroxy-?
The molecular formula of Theophylline, 8-ethyl-7-hydroxy- is C9H12N4O3.
What is the molecular weight of Theophylline, 8-ethyl-7-hydroxy-?
The molecular weight of Theophylline, 8-ethyl-7-hydroxy- is 224.09 g/mol.
Where can I buy Theophylline, 8-ethyl-7-hydroxy-?
You can request a quote for Theophylline, 8-ethyl-7-hydroxy- 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-hydroxy-?
Yes, KEHONG BIO provides custom synthesis services for Theophylline, 8-ethyl-7-hydroxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.