Theophylline, 7-(4-((2-(3,4-dihydroxyphenyl)-2-hydroxyethyl)amino)butyl)-
TL;DR: Theophylline, 7-(4-((2-(3,4-dihydroxyphenyl)-2-hydroxyethyl)amino)butyl)- (CAS 62401-94-9) 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-[4-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]butyl]-1,3-dimethylpurine-2,6-dione
Also Known As: 5-26-14-00033 (Beilstein Handbook Reference), Theophylline, 7-(4-((2-(3,4-dihydroxyphenyl)-2-hydroxyethyl)amino)butyl)-, 7-(4-(2-((3,4-Dihydroxyphenyl)-2-hydroxyethyl)amino)butyl)theophylline, 7-[4-[[2-2-hydroxyethyl]amino]butyl]theophyline, 7-[4-[[2- -2-hydroxyethyl]amino]butyl]theophyline
| Molecular Formula | C19H25N5O5 |
|---|---|
| Molecular Weight | 403.19 g/mol |
| LogP | -0.0517 |
| Topological Polar Surface Area | 134.54 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 403.18558 |
| Heavy Atoms | 29 |
| Complexity | 1130.4459 |
Chemical Identifiers
| CAS Number | 62401-94-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCNCC(C3=CC(=C(C=C3)O)O)O |
Product Overview
Theophylline, 7-(4-((2-(3,4-dihydroxyphenyl)-2-hydroxyethyl)amino)butyl)- (CAS 62401-94-9), with molecular formula C19H25N5O5 and molecular weight 403.19 g/mol. IUPAC: 7-[4-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]butyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of Theophylline, 7-(4-((2-(3,4-dihydroxyphenyl)-2-hydroxyethyl)amino)butyl)-
Property Insights of Theophylline, 7-(4-((2-(3,4-dihydroxyphenyl)-2-hydroxyethyl)amino)butyl)-
The XLogP value of -0.0517 indicates that Theophylline, 7-(4-((2-(3,4-dihydroxyphenyl)-2-hydroxyethyl)amino)butyl)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 134.54 Ų falls within the moderate polarity range, balancing permeability and solubility for Theophylline, 7-(4-((2-(3,4-dihydroxyphenyl)-2-hydroxyethyl)amino)butyl)-. Following Lipinski's Rule of Five, Theophylline, 7-(4-((2-(3,4-dihydroxyphenyl)-2-hydroxyethyl)amino)butyl)- 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 Theophylline, 7-(4-((2-(3,4-dihydroxyphenyl)-2-hydroxyethyl)amino)butyl)-?
The CAS number of Theophylline, 7-(4-((2-(3,4-dihydroxyphenyl)-2-hydroxyethyl)amino)butyl)- is 62401-94-9.
What is the molecular formula of Theophylline, 7-(4-((2-(3,4-dihydroxyphenyl)-2-hydroxyethyl)amino)butyl)-?
The molecular formula of Theophylline, 7-(4-((2-(3,4-dihydroxyphenyl)-2-hydroxyethyl)amino)butyl)- is C19H25N5O5.
What is the molecular weight of Theophylline, 7-(4-((2-(3,4-dihydroxyphenyl)-2-hydroxyethyl)amino)butyl)-?
The molecular weight of Theophylline, 7-(4-((2-(3,4-dihydroxyphenyl)-2-hydroxyethyl)amino)butyl)- is 403.19 g/mol.
Where can I buy Theophylline, 7-(4-((2-(3,4-dihydroxyphenyl)-2-hydroxyethyl)amino)butyl)-?
You can request a quote for Theophylline, 7-(4-((2-(3,4-dihydroxyphenyl)-2-hydroxyethyl)amino)butyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Theophylline, 7-(4-((2-(3,4-dihydroxyphenyl)-2-hydroxyethyl)amino)butyl)-?
Yes, KEHONG BIO provides custom synthesis services for Theophylline, 7-(4-((2-(3,4-dihydroxyphenyl)-2-hydroxyethyl)amino)butyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.