Theophylline, 7-(3-((2-(3,4-dihydroxyphenyl)-2-hydroxyethyl)amino)propyl)-8-(2-methylmorpholino)-
TL;DR: Theophylline, 7-(3-((2-(3,4-dihydroxyphenyl)-2-hydroxyethyl)amino)propyl)-8-(2-methylmorpholino)- (CAS 62402-02-2) is a chemical compound with molecular formula C23H32N6O6 and molecular weight 488.24 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-(2-methylmorpholin-4-yl)purine-2,6-dione
Also Known As: Theophylline, 7-(3-((2-(3,4-dihydroxyphenyl)-2-hydroxyethyl)amino)propyl)-8-(2-methylmorpholino)-, 7-(3-{[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino}propyl)-1,3-dimethyl-8-(2-methylmorpholin-4-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 7-(3-((2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl)amino)propyl)-1,3-dimethyl-8-(2-methylmorpholino)-1H-purine-2,6(3H,7H)-dione, 7-[3-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]propyl]-1,3-dimethyl-8-(2-methylmorpholin-4-yl)purine-2,6-dione, 1H-Purine-2,6-dione, 7-[3-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]propyl]-3,7-dihydro-1,3-dimethyl-8-(2-methyl-4-morpholinyl)-
| Molecular Formula | C23H32N6O6 |
|---|---|
| Molecular Weight | 488.24 g/mol |
| LogP | -0.2167 |
| Topological Polar Surface Area | 147.01 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 488.23834 |
| Heavy Atoms | 35 |
| Complexity | 1328.7537 |
Chemical Identifiers
| CAS Number | 62402-02-2 |
|---|---|
| SMILES | CC1CN(CCO1)C2=NC3=C(N2CCCNCC(C4=CC(=C(C=C4)O)O)O)C(=O)N(C(=O)N3C)C |
Product Overview
Theophylline, 7-(3-((2-(3,4-dihydroxyphenyl)-2-hydroxyethyl)amino)propyl)-8-(2-methylmorpholino)- (CAS 62402-02-2), with molecular formula C23H32N6O6 and molecular weight 488.24 g/mol. IUPAC: 7-[3-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]propyl]-1,3-dimethyl-8-(2-methylmorpholin-4-yl)purine-2,6-dione.
Chemical Property Profile of Theophylline, 7-(3-((2-(3,4-dihydroxyphenyl)-2-hydroxyethyl)amino)propyl)-8-(2-methylmorpholino)-
Property Insights of Theophylline, 7-(3-((2-(3,4-dihydroxyphenyl)-2-hydroxyethyl)amino)propyl)-8-(2-methylmorpholino)-
The XLogP value of -0.2167 indicates that Theophylline, 7-(3-((2-(3,4-dihydroxyphenyl)-2-hydroxyethyl)amino)propyl)-8-(2-methylmorpholino)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 147.01 Ų indicates high polarity, suggesting Theophylline, 7-(3-((2-(3,4-dihydroxyphenyl)-2-hydroxyethyl)amino)propyl)-8-(2-methylmorpholino)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Theophylline, 7-(3-((2-(3,4-dihydroxyphenyl)-2-hydroxyethyl)amino)propyl)-8-(2-methylmorpholino)- 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 Theophylline, 7-(3-((2-(3,4-dihydroxyphenyl)-2-hydroxyethyl)amino)propyl)-8-(2-methylmorpholino)-?
The CAS number of Theophylline, 7-(3-((2-(3,4-dihydroxyphenyl)-2-hydroxyethyl)amino)propyl)-8-(2-methylmorpholino)- is 62402-02-2.
What is the molecular formula of Theophylline, 7-(3-((2-(3,4-dihydroxyphenyl)-2-hydroxyethyl)amino)propyl)-8-(2-methylmorpholino)-?
The molecular formula of Theophylline, 7-(3-((2-(3,4-dihydroxyphenyl)-2-hydroxyethyl)amino)propyl)-8-(2-methylmorpholino)- is C23H32N6O6.
What is the molecular weight of Theophylline, 7-(3-((2-(3,4-dihydroxyphenyl)-2-hydroxyethyl)amino)propyl)-8-(2-methylmorpholino)-?
The molecular weight of Theophylline, 7-(3-((2-(3,4-dihydroxyphenyl)-2-hydroxyethyl)amino)propyl)-8-(2-methylmorpholino)- is 488.24 g/mol.
Where can I buy Theophylline, 7-(3-((2-(3,4-dihydroxyphenyl)-2-hydroxyethyl)amino)propyl)-8-(2-methylmorpholino)-?
You can request a quote for Theophylline, 7-(3-((2-(3,4-dihydroxyphenyl)-2-hydroxyethyl)amino)propyl)-8-(2-methylmorpholino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Theophylline, 7-(3-((2-(3,4-dihydroxyphenyl)-2-hydroxyethyl)amino)propyl)-8-(2-methylmorpholino)-?
Yes, KEHONG BIO provides custom synthesis services for Theophylline, 7-(3-((2-(3,4-dihydroxyphenyl)-2-hydroxyethyl)amino)propyl)-8-(2-methylmorpholino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.