Theophylline olamine
TL;DR: Theophylline olamine (CAS 573-41-1) is a chemical compound with molecular formula C9H15N5O3 and molecular weight 241.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-aminoethanol;1,3-dimethyl-7H-purine-2,6-dione
Also Known As: Monotheamine, Clysmathane, Monotheamin, Monoxantil, Unophyllin
| Molecular Formula | C9H15N5O3 |
|---|---|
| Molecular Weight | 241.12 g/mol |
| LogP | -2.1 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 241.1175 |
| Heavy Atoms | 17 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 573-41-1 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)NC=N2.C(CO)N |
| InChIKey | DAAFJZUNCOXSKD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Theophylline olamine (CAS 573-41-1), with molecular formula C9H15N5O3 and molecular weight 241.12 g/mol. IUPAC: 2-aminoethanol;1,3-dimethyl-7H-purine-2,6-dione.
Chemical Property Profile of Theophylline olamine
Property Insights of Theophylline olamine
The XLogP value of -2.1 indicates that Theophylline olamine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Theophylline olamine. Following Lipinski's Rule of Five, Theophylline olamine has 3 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 olamine?
The CAS number of Theophylline olamine is 573-41-1.
What is the molecular formula of Theophylline olamine?
The molecular formula of Theophylline olamine is C9H15N5O3.
What is the molecular weight of Theophylline olamine?
The molecular weight of Theophylline olamine is 241.12 g/mol.
Where can I buy Theophylline olamine?
You can request a quote for Theophylline olamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Theophylline olamine?
Yes, KEHONG BIO provides custom synthesis services for Theophylline olamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.