Theophylline, 8-((2-hydroxyethyl)methylamino)-
TL;DR: Theophylline, 8-((2-hydroxyethyl)methylamino)- (CAS 117099-47-5) is a chemical compound with molecular formula C10H15N5O3 and molecular weight 253.1175 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-[2-hydroxyethyl(methyl)amino]-1,3-dimethyl-7H-purine-2,6-dione
Also Known As: 8-((2-Hydroxyethyl)methylamino)theophylline, Theophylline, 8-((2-hydroxyethyl)methylamino)-, 8-(N-Methyl-N-beta-hydroxyethyl-amino)theophylline, 4-26-00-03981 (Beilstein Handbook Reference), 8-[2-hydroxyethyl(methyl)amino]-1,3-dimethyl-7H-purine-2,6-dione
Technical Specifications
| Molecular Formula | C10H15N5O3 |
| Molecular Weight | 253.1175 g/mol |
| XLogP | -0.6 |
| Topological Polar Surface Area (TPSA) | 92.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 253.1175 Da |
| Heavy Atoms | 18 |
| Complexity | 363.0 |
| SMILES | CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N(C)CCO |
| InChIKey | AXUZUPDOONNMJX-UHFFFAOYSA-N |
Chemical Property Profile of Theophylline, 8-((2-hydroxyethyl)methylamino)-
Property Insights of Theophylline, 8-((2-hydroxyethyl)methylamino)-
The XLogP value of -0.6 indicates that Theophylline, 8-((2-hydroxyethyl)methylamino)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 92.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Theophylline, 8-((2-hydroxyethyl)methylamino)-. Following Lipinski's Rule of Five, Theophylline, 8-((2-hydroxyethyl)methylamino)- has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Theophylline, 8-((2-hydroxyethyl)methylamino)-?
The CAS number of Theophylline, 8-((2-hydroxyethyl)methylamino)- is 117099-47-5.
What is the molecular formula of Theophylline, 8-((2-hydroxyethyl)methylamino)-?
The molecular formula of Theophylline, 8-((2-hydroxyethyl)methylamino)- is C10H15N5O3.
What is the molecular weight of Theophylline, 8-((2-hydroxyethyl)methylamino)-?
The molecular weight of Theophylline, 8-((2-hydroxyethyl)methylamino)- is 253.1175 g/mol.
Where can I buy Theophylline, 8-((2-hydroxyethyl)methylamino)-?
You can request a quote for Theophylline, 8-((2-hydroxyethyl)methylamino)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Theophylline, 8-((2-hydroxyethyl)methylamino)-?
Yes, CoreyChem provides custom synthesis services for Theophylline, 8-((2-hydroxyethyl)methylamino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.