Theophylline, 7-(2-((3,4-dihydroxybenzoylmethyl)amino)ethyl)-
TL;DR: Theophylline, 7-(2-((3,4-dihydroxybenzoylmethyl)amino)ethyl)- (CAS 16289-61-5) is a chemical compound with molecular formula C17H19N5O5 and molecular weight 373.1386 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-[2-[[2-(3,4-dihydroxyphenyl)-2-oxoethyl]amino]ethyl]-1,3-dimethylpurine-2,6-dione
Also Known As: D 472, 5-26-14-00013 (Beilstein Handbook Reference), Theophylline, 7-(2-((3,4-dihydroxybenzoylmethyl)amino)ethyl)-, 7-(2-((3,4-Dihydroxybenzoylmethyl)amino)ethyl)theophylline, 7-[2-[[2-(3,4-dihydroxyphenyl)-2-oxoethyl]amino]ethyl]-1,3-dimethylpurine-2,6-dione
Technical Specifications
| Molecular Formula | C17H19N5O5 |
| Molecular Weight | 373.1386 g/mol |
| XLogP | -0.2 |
| Topological Polar Surface Area (TPSA) | 128.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 373.1386 Da |
| Heavy Atoms | 27 |
| Complexity | 602.0 |
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNCC(=O)C3=CC(=C(C=C3)O)O |
| InChIKey | MJONUHGXWMUDTE-UHFFFAOYSA-N |
Chemical Property Profile of Theophylline, 7-(2-((3,4-dihydroxybenzoylmethyl)amino)ethyl)-
Property Insights of Theophylline, 7-(2-((3,4-dihydroxybenzoylmethyl)amino)ethyl)-
The XLogP value of -0.2 indicates that Theophylline, 7-(2-((3,4-dihydroxybenzoylmethyl)amino)ethyl)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Theophylline, 7-(2-((3,4-dihydroxybenzoylmethyl)amino)ethyl)-. Following Lipinski's Rule of Five, Theophylline, 7-(2-((3,4-dihydroxybenzoylmethyl)amino)ethyl)- has 3 hydrogen bond donor(s) and 7 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, 7-(2-((3,4-dihydroxybenzoylmethyl)amino)ethyl)-?
The CAS number of Theophylline, 7-(2-((3,4-dihydroxybenzoylmethyl)amino)ethyl)- is 16289-61-5.
What is the molecular formula of Theophylline, 7-(2-((3,4-dihydroxybenzoylmethyl)amino)ethyl)-?
The molecular formula of Theophylline, 7-(2-((3,4-dihydroxybenzoylmethyl)amino)ethyl)- is C17H19N5O5.
What is the molecular weight of Theophylline, 7-(2-((3,4-dihydroxybenzoylmethyl)amino)ethyl)-?
The molecular weight of Theophylline, 7-(2-((3,4-dihydroxybenzoylmethyl)amino)ethyl)- is 373.1386 g/mol.
Where can I buy Theophylline, 7-(2-((3,4-dihydroxybenzoylmethyl)amino)ethyl)-?
You can request a quote for Theophylline, 7-(2-((3,4-dihydroxybenzoylmethyl)amino)ethyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Theophylline, 7-(2-((3,4-dihydroxybenzoylmethyl)amino)ethyl)-?
Yes, CoreyChem provides custom synthesis services for Theophylline, 7-(2-((3,4-dihydroxybenzoylmethyl)amino)ethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.