7-(3-((2-(3,5-Dihydroxyphenyl)-2-hydroxyethyl)amino)butyl)theophylline
TL;DR: 7-(3-((2-(3,5-Dihydroxyphenyl)-2-hydroxyethyl)amino)butyl)theophylline (CAS 56517-15-8) is a chemical compound with molecular formula C19H25N5O5 and molecular weight 403.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[3-[[2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]amino]butyl]-1,3-dimethylpurine-2,6-dione
Also Known As: D 4908, 5-26-14-00031 (Beilstein Handbook Reference), 7-(3-((2-(3,5-Dihydroxyphenyl)-2-hydroxyethyl)amino)butyl)theophylline, Theophylline, 7-(3-((2-(3,5-dihydroxyphenyl)-2-hydroxyethyl)amino)butyl)-, 7-(3-{[2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]amino}butyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C19H25N5O5 |
|---|---|
| Molecular Weight | 403.19 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 131.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 403.18558 |
| Heavy Atoms | 29 |
| Complexity | 598.0 |
Chemical Identifiers
| CAS Number | 56517-15-8 |
|---|---|
| SMILES | CC(CCN1C=NC2=C1C(=O)N(C(=O)N2C)C)NCC(C3=CC(=CC(=C3)O)O)O |
| InChIKey | DMFMRRZRWYTDGW-UHFFFAOYSA-N |
Product Overview
7-(3-((2-(3,5-Dihydroxyphenyl)-2-hydroxyethyl)amino)butyl)theophylline (CAS 56517-15-8), with molecular formula C19H25N5O5 and molecular weight 403.19 g/mol. IUPAC: 7-[3-[[2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]amino]butyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 7-(3-((2-(3,5-Dihydroxyphenyl)-2-hydroxyethyl)amino)butyl)theophylline
Property Insights of 7-(3-((2-(3,5-Dihydroxyphenyl)-2-hydroxyethyl)amino)butyl)theophylline
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(3-((2-(3,5-Dihydroxyphenyl)-2-hydroxyethyl)amino)butyl)theophylline. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(3-((2-(3,5-Dihydroxyphenyl)-2-hydroxyethyl)amino)butyl)theophylline. Following Lipinski's Rule of Five, 7-(3-((2-(3,5-Dihydroxyphenyl)-2-hydroxyethyl)amino)butyl)theophylline has 4 hydrogen bond donor(s) and 7 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-(3,5-Dihydroxyphenyl)-2-hydroxyethyl)amino)butyl)theophylline?
The CAS number of 7-(3-((2-(3,5-Dihydroxyphenyl)-2-hydroxyethyl)amino)butyl)theophylline is 56517-15-8.
What is the molecular formula of 7-(3-((2-(3,5-Dihydroxyphenyl)-2-hydroxyethyl)amino)butyl)theophylline?
The molecular formula of 7-(3-((2-(3,5-Dihydroxyphenyl)-2-hydroxyethyl)amino)butyl)theophylline is C19H25N5O5.
What is the molecular weight of 7-(3-((2-(3,5-Dihydroxyphenyl)-2-hydroxyethyl)amino)butyl)theophylline?
The molecular weight of 7-(3-((2-(3,5-Dihydroxyphenyl)-2-hydroxyethyl)amino)butyl)theophylline is 403.19 g/mol.
Where can I buy 7-(3-((2-(3,5-Dihydroxyphenyl)-2-hydroxyethyl)amino)butyl)theophylline?
You can request a quote for 7-(3-((2-(3,5-Dihydroxyphenyl)-2-hydroxyethyl)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-(3,5-Dihydroxyphenyl)-2-hydroxyethyl)amino)butyl)theophylline?
Yes, KEHONG BIO provides custom synthesis services for 7-(3-((2-(3,5-Dihydroxyphenyl)-2-hydroxyethyl)amino)butyl)theophylline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.