Theophylline, 7-(3-((2-(3,4-dihydroxyphenyl)-2-hydroxyethyl)amino)propyl)-
TL;DR: Theophylline, 7-(3-((2-(3,4-dihydroxyphenyl)-2-hydroxyethyl)amino)propyl)- (CAS 41760-38-7) is a chemical compound with molecular formula C16H19N5O5 and molecular weight 361.14 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]-3H-purine-2,6-dione
Also Known As: D 1946, 7-(3-((2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl)amino)propyl)theophylline, Theophylline, 7-(3-((2-(3,4-dihydroxyphenyl)-2-hydroxyethyl)amino)propyl)-, 7-[3-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]propyl]-3H-purine-2,6-dione, 7-(3-{[2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl]amino}propyl)-7H-purine-2,6-diol
| Molecular Formula | C16H19N5O5 |
|---|---|
| Molecular Weight | 361.14 g/mol |
| LogP | -0.4626 |
| Topological Polar Surface Area | 156.26 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 361.1386 |
| Heavy Atoms | 26 |
| Complexity | 1021.7778 |
Chemical Identifiers
| CAS Number | 41760-38-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(CNCCCN2C=NC3=C2C(=O)NC(=O)N3)O)O)O |
Product Overview
Theophylline, 7-(3-((2-(3,4-dihydroxyphenyl)-2-hydroxyethyl)amino)propyl)- (CAS 41760-38-7), with molecular formula C16H19N5O5 and molecular weight 361.14 g/mol. IUPAC: 7-[3-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]propyl]-3H-purine-2,6-dione.
Chemical Property Profile of Theophylline, 7-(3-((2-(3,4-dihydroxyphenyl)-2-hydroxyethyl)amino)propyl)-
Property Insights of Theophylline, 7-(3-((2-(3,4-dihydroxyphenyl)-2-hydroxyethyl)amino)propyl)-
The XLogP value of -0.4626 indicates that Theophylline, 7-(3-((2-(3,4-dihydroxyphenyl)-2-hydroxyethyl)amino)propyl)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 156.26 Ų indicates high polarity, suggesting Theophylline, 7-(3-((2-(3,4-dihydroxyphenyl)-2-hydroxyethyl)amino)propyl)- 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)- has 6 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Theophylline, 7-(3-((2-(3,4-dihydroxyphenyl)-2-hydroxyethyl)amino)propyl)-?
The CAS number of Theophylline, 7-(3-((2-(3,4-dihydroxyphenyl)-2-hydroxyethyl)amino)propyl)- is 41760-38-7.
What is the molecular formula of Theophylline, 7-(3-((2-(3,4-dihydroxyphenyl)-2-hydroxyethyl)amino)propyl)-?
The molecular formula of Theophylline, 7-(3-((2-(3,4-dihydroxyphenyl)-2-hydroxyethyl)amino)propyl)- is C16H19N5O5.
What is the molecular weight of Theophylline, 7-(3-((2-(3,4-dihydroxyphenyl)-2-hydroxyethyl)amino)propyl)-?
The molecular weight of Theophylline, 7-(3-((2-(3,4-dihydroxyphenyl)-2-hydroxyethyl)amino)propyl)- is 361.14 g/mol.
Where can I buy Theophylline, 7-(3-((2-(3,4-dihydroxyphenyl)-2-hydroxyethyl)amino)propyl)-?
You can request a quote for Theophylline, 7-(3-((2-(3,4-dihydroxyphenyl)-2-hydroxyethyl)amino)propyl)- 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)-?
Yes, KEHONG BIO provides custom synthesis services for Theophylline, 7-(3-((2-(3,4-dihydroxyphenyl)-2-hydroxyethyl)amino)propyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.