Theophylline diethanolamine
TL;DR: Theophylline diethanolamine (CAS 32156-80-2) is a chemical compound with molecular formula C11H19N5O4 and molecular weight 285.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-7H-purine-2,6-dione;2-(2-hydroxyethylamino)ethanol
Also Known As: Deriphyllin, Theophylline diethanolamine, adisne{diethanolamine}, Hydroxyethyltheophylline complet, THEOPHYLLINE DIETHANOLAMINE [MI]
| Molecular Formula | C11H19N5O4 |
|---|---|
| Molecular Weight | 285.14 g/mol |
| LogP | -2.48 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 285.1437 |
| Heavy Atoms | 20 |
| Complexity | 296.0 |
Chemical Identifiers
| CAS Number | 32156-80-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)NC=N2.C(CO)NCCO |
| InChIKey | XYBFIZMXHHNHKG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Theophylline diethanolamine (CAS 32156-80-2), with molecular formula C11H19N5O4 and molecular weight 285.14 g/mol. IUPAC: 1,3-dimethyl-7H-purine-2,6-dione;2-(2-hydroxyethylamino)ethanol.
Chemical Property Profile of Theophylline diethanolamine
Property Insights of Theophylline diethanolamine
The XLogP value of -2.48 indicates that Theophylline diethanolamine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Theophylline diethanolamine. Following Lipinski's Rule of Five, Theophylline diethanolamine has 4 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 Theophylline diethanolamine?
The CAS number of Theophylline diethanolamine is 32156-80-2.
What is the molecular formula of Theophylline diethanolamine?
The molecular formula of Theophylline diethanolamine is C11H19N5O4.
What is the molecular weight of Theophylline diethanolamine?
The molecular weight of Theophylline diethanolamine is 285.14 g/mol.
Where can I buy Theophylline diethanolamine?
You can request a quote for Theophylline diethanolamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Theophylline diethanolamine?
Yes, KEHONG BIO provides custom synthesis services for Theophylline diethanolamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.