7-(3-((2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl)amino)propyl)-8-morpholinotheophylline
TL;DR: 7-(3-((2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl)amino)propyl)-8-morpholinotheophylline (CAS 62402-01-1) is a chemical compound with molecular formula C22H30N6O6 and molecular weight 474.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[3-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]propyl]-1,3-dimethyl-8-morpholin-4-ylpurine-2,6-dione
Also Known As: 7-(3-((2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl)amino)propyl)-8-morpholinotheophylline, Theophylline, 7-(3-((2-(3,4-dihydroxyphenyl)-2-hydroxyethyl)amino)propyl)-8-morpholino-, 7-(3-{[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino}propyl)-1,3-dimethyl-8-(morpholin-4-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 7-[3-[[2- -2-hydroxyethyl]amino]propyl]-8-morpholinotheophyline, 7-[3-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]propyl]-
| Molecular Formula | C22H30N6O6 |
|---|---|
| Molecular Weight | 474.22 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 144.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 474.2227 |
| Heavy Atoms | 34 |
| Complexity | 724.0 |
Chemical Identifiers
| CAS Number | 62402-01-1 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCOCC3)CCCNCC(C4=CC(=C(C=C4)O)O)O |
| InChIKey | XTDJYRRJDWTRSJ-UHFFFAOYSA-N |
Product Overview
7-(3-((2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl)amino)propyl)-8-morpholinotheophylline (CAS 62402-01-1), with molecular formula C22H30N6O6 and molecular weight 474.22 g/mol. IUPAC: 7-[3-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]propyl]-1,3-dimethyl-8-morpholin-4-ylpurine-2,6-dione.
Chemical Property Profile of 7-(3-((2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl)amino)propyl)-8-morpholinotheophylline
Property Insights of 7-(3-((2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl)amino)propyl)-8-morpholinotheophylline
The XLogP value of -0.4 indicates that 7-(3-((2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl)amino)propyl)-8-morpholinotheophylline is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 144.0 Ų indicates high polarity, suggesting 7-(3-((2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl)amino)propyl)-8-morpholinotheophylline may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 7-(3-((2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl)amino)propyl)-8-morpholinotheophylline has 4 hydrogen bond donor(s) and 9 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-(3,4-Dihydroxyphenyl)-2-hydroxyethyl)amino)propyl)-8-morpholinotheophylline?
The CAS number of 7-(3-((2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl)amino)propyl)-8-morpholinotheophylline is 62402-01-1.
What is the molecular formula of 7-(3-((2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl)amino)propyl)-8-morpholinotheophylline?
The molecular formula of 7-(3-((2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl)amino)propyl)-8-morpholinotheophylline is C22H30N6O6.
What is the molecular weight of 7-(3-((2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl)amino)propyl)-8-morpholinotheophylline?
The molecular weight of 7-(3-((2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl)amino)propyl)-8-morpholinotheophylline is 474.22 g/mol.
Where can I buy 7-(3-((2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl)amino)propyl)-8-morpholinotheophylline?
You can request a quote for 7-(3-((2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl)amino)propyl)-8-morpholinotheophylline 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-(3,4-Dihydroxyphenyl)-2-hydroxyethyl)amino)propyl)-8-morpholinotheophylline?
Yes, KEHONG BIO provides custom synthesis services for 7-(3-((2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl)amino)propyl)-8-morpholinotheophylline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.