Theophylline, 7-(2-((4-hydroxybenzoylmethyl)amino)ethyl)-
TL;DR: Theophylline, 7-(2-((4-hydroxybenzoylmethyl)amino)ethyl)- (CAS 62402-11-3) is a chemical compound with molecular formula C17H19N5O4 and molecular weight 357.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[2-[[2-(4-hydroxyphenyl)-2-oxoethyl]amino]ethyl]-1,3-dimethylpurine-2,6-dione
Also Known As: 7-[2-[amino]ethyl]theophyline, 7-[2-[ amino]ethyl]theophyline, D 471, Theophylline, 7-(2-((4-hydroxybenzoylmethyl)amino)ethyl)-, 7-(2-((4-Hydroxybenzoylmethyl)amino)ethyl)theophylline
| Molecular Formula | C17H19N5O4 |
|---|---|
| Molecular Weight | 357.14 g/mol |
| LogP | -0.3882 |
| Topological Polar Surface Area | 111.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 357.1437 |
| Heavy Atoms | 26 |
| Complexity | 1075.4568 |
Chemical Identifiers
| CAS Number | 62402-11-3 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNCC(=O)C3=CC=C(C=C3)O |
Product Overview
Theophylline, 7-(2-((4-hydroxybenzoylmethyl)amino)ethyl)- (CAS 62402-11-3), with molecular formula C17H19N5O4 and molecular weight 357.14 g/mol. IUPAC: 7-[2-[[2-(4-hydroxyphenyl)-2-oxoethyl]amino]ethyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of Theophylline, 7-(2-((4-hydroxybenzoylmethyl)amino)ethyl)-
Property Insights of Theophylline, 7-(2-((4-hydroxybenzoylmethyl)amino)ethyl)-
The XLogP value of -0.3882 indicates that Theophylline, 7-(2-((4-hydroxybenzoylmethyl)amino)ethyl)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 111.15 Ų falls within the moderate polarity range, balancing permeability and solubility for Theophylline, 7-(2-((4-hydroxybenzoylmethyl)amino)ethyl)-. Following Lipinski's Rule of Five, Theophylline, 7-(2-((4-hydroxybenzoylmethyl)amino)ethyl)- has 2 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, 7-(2-((4-hydroxybenzoylmethyl)amino)ethyl)-?
The CAS number of Theophylline, 7-(2-((4-hydroxybenzoylmethyl)amino)ethyl)- is 62402-11-3.
What is the molecular formula of Theophylline, 7-(2-((4-hydroxybenzoylmethyl)amino)ethyl)-?
The molecular formula of Theophylline, 7-(2-((4-hydroxybenzoylmethyl)amino)ethyl)- is C17H19N5O4.
What is the molecular weight of Theophylline, 7-(2-((4-hydroxybenzoylmethyl)amino)ethyl)-?
The molecular weight of Theophylline, 7-(2-((4-hydroxybenzoylmethyl)amino)ethyl)- is 357.14 g/mol.
Where can I buy Theophylline, 7-(2-((4-hydroxybenzoylmethyl)amino)ethyl)-?
You can request a quote for Theophylline, 7-(2-((4-hydroxybenzoylmethyl)amino)ethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Theophylline, 7-(2-((4-hydroxybenzoylmethyl)amino)ethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Theophylline, 7-(2-((4-hydroxybenzoylmethyl)amino)ethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.