7-(3-((2-Hydroxy-2-(p-hydroxyphenyl)ethyl)amino)butyl)theophylline
TL;DR: 7-(3-((2-Hydroxy-2-(p-hydroxyphenyl)ethyl)amino)butyl)theophylline (CAS 62401-89-2) is a chemical compound with molecular formula C19H25N5O4 and molecular weight 387.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[3-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]butyl]-1,3-dimethylpurine-2,6-dione
Also Known As: D 5905, 5-26-14-00031 (Beilstein Handbook Reference), 7-(3-((2-Hydroxy-2-(p-hydroxyphenyl)ethyl)amino)butyl)theophylline, Theophylline, 7-(3-((2-hydroxy-2-(p-hydroxyphenyl)ethyl)amino)butyl)-, 7-[3-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]butyl]-1,3-dimethylpurine-2,6-dione
| Molecular Formula | C19H25N5O4 |
|---|---|
| Molecular Weight | 387.19 g/mol |
| LogP | 0.2411 |
| Topological Polar Surface Area | 114.31 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 387.19064 |
| Heavy Atoms | 28 |
| Complexity | 1080.6276 |
Chemical Identifiers
| CAS Number | 62401-89-2 |
|---|---|
| SMILES | CC(CCN1C=NC2=C1C(=O)N(C(=O)N2C)C)NCC(C3=CC=C(C=C3)O)O |
Product Overview
7-(3-((2-Hydroxy-2-(p-hydroxyphenyl)ethyl)amino)butyl)theophylline (CAS 62401-89-2), with molecular formula C19H25N5O4 and molecular weight 387.19 g/mol. IUPAC: 7-[3-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]butyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 7-(3-((2-Hydroxy-2-(p-hydroxyphenyl)ethyl)amino)butyl)theophylline
Property Insights of 7-(3-((2-Hydroxy-2-(p-hydroxyphenyl)ethyl)amino)butyl)theophylline
The XLogP value of 0.2411 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(3-((2-Hydroxy-2-(p-hydroxyphenyl)ethyl)amino)butyl)theophylline. The TPSA of 114.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(3-((2-Hydroxy-2-(p-hydroxyphenyl)ethyl)amino)butyl)theophylline. Following Lipinski's Rule of Five, 7-(3-((2-Hydroxy-2-(p-hydroxyphenyl)ethyl)amino)butyl)theophylline has 3 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 7-(3-((2-Hydroxy-2-(p-hydroxyphenyl)ethyl)amino)butyl)theophylline?
The CAS number of 7-(3-((2-Hydroxy-2-(p-hydroxyphenyl)ethyl)amino)butyl)theophylline is 62401-89-2.
What is the molecular formula of 7-(3-((2-Hydroxy-2-(p-hydroxyphenyl)ethyl)amino)butyl)theophylline?
The molecular formula of 7-(3-((2-Hydroxy-2-(p-hydroxyphenyl)ethyl)amino)butyl)theophylline is C19H25N5O4.
What is the molecular weight of 7-(3-((2-Hydroxy-2-(p-hydroxyphenyl)ethyl)amino)butyl)theophylline?
The molecular weight of 7-(3-((2-Hydroxy-2-(p-hydroxyphenyl)ethyl)amino)butyl)theophylline is 387.19 g/mol.
Where can I buy 7-(3-((2-Hydroxy-2-(p-hydroxyphenyl)ethyl)amino)butyl)theophylline?
You can request a quote for 7-(3-((2-Hydroxy-2-(p-hydroxyphenyl)ethyl)amino)butyl)theophylline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-(3-((2-Hydroxy-2-(p-hydroxyphenyl)ethyl)amino)butyl)theophylline?
Yes, KEHONG BIO provides custom synthesis services for 7-(3-((2-Hydroxy-2-(p-hydroxyphenyl)ethyl)amino)butyl)theophylline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.