7-(3-((2-Hydroxy-2-(p-hydroxyphenyl)ethyl)amino)propyl)theophylline
TL;DR: 7-(3-((2-Hydroxy-2-(p-hydroxyphenyl)ethyl)amino)propyl)theophylline (CAS 62401-81-4) is a chemical compound with molecular formula C18H23N5O4 and molecular weight 373.18 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]propyl]-1,3-dimethylpurine-2,6-dione
Also Known As: D 1964, 5-26-14-00025 (Beilstein Handbook Reference), 7-(3-((2-Hydroxy-2-(p-hydroxyphenyl)ethyl)amino)propyl)theophylline, 7-[3-[[2-Hydroxy-2- ethyl]amino]propyl]theophyline, Theophylline, 7-(3-((2-hydroxy-2-(p-hydroxyphenyl)ethyl)amino)propyl)-
| Molecular Formula | C18H23N5O4 |
|---|---|
| Molecular Weight | 373.18 g/mol |
| LogP | -0.1474 |
| Topological Polar Surface Area | 114.31 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 373.17502 |
| Heavy Atoms | 27 |
| Complexity | 1048.5297 |
Chemical Identifiers
| CAS Number | 62401-81-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCNCC(C3=CC=C(C=C3)O)O |
Product Overview
7-(3-((2-Hydroxy-2-(p-hydroxyphenyl)ethyl)amino)propyl)theophylline (CAS 62401-81-4), with molecular formula C18H23N5O4 and molecular weight 373.18 g/mol. IUPAC: 7-[3-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]propyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 7-(3-((2-Hydroxy-2-(p-hydroxyphenyl)ethyl)amino)propyl)theophylline
Property Insights of 7-(3-((2-Hydroxy-2-(p-hydroxyphenyl)ethyl)amino)propyl)theophylline
The XLogP value of -0.1474 indicates that 7-(3-((2-Hydroxy-2-(p-hydroxyphenyl)ethyl)amino)propyl)theophylline is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. 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)propyl)theophylline. Following Lipinski's Rule of Five, 7-(3-((2-Hydroxy-2-(p-hydroxyphenyl)ethyl)amino)propyl)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)propyl)theophylline?
The CAS number of 7-(3-((2-Hydroxy-2-(p-hydroxyphenyl)ethyl)amino)propyl)theophylline is 62401-81-4.
What is the molecular formula of 7-(3-((2-Hydroxy-2-(p-hydroxyphenyl)ethyl)amino)propyl)theophylline?
The molecular formula of 7-(3-((2-Hydroxy-2-(p-hydroxyphenyl)ethyl)amino)propyl)theophylline is C18H23N5O4.
What is the molecular weight of 7-(3-((2-Hydroxy-2-(p-hydroxyphenyl)ethyl)amino)propyl)theophylline?
The molecular weight of 7-(3-((2-Hydroxy-2-(p-hydroxyphenyl)ethyl)amino)propyl)theophylline is 373.18 g/mol.
Where can I buy 7-(3-((2-Hydroxy-2-(p-hydroxyphenyl)ethyl)amino)propyl)theophylline?
You can request a quote for 7-(3-((2-Hydroxy-2-(p-hydroxyphenyl)ethyl)amino)propyl)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)propyl)theophylline?
Yes, KEHONG BIO provides custom synthesis services for 7-(3-((2-Hydroxy-2-(p-hydroxyphenyl)ethyl)amino)propyl)theophylline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.