7-Theophyllineethanol, alpha-(N-methylnicotinoyloxyethylaminomethyl)-
TL;DR: 7-Theophyllineethanol, alpha-(N-methylnicotinoyloxyethylaminomethyl)- (CAS 51920-73-1) is a chemical compound with molecular formula C19H24N6O5 and molecular weight 416.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-2-hydroxypropyl]-methylamino]ethyl pyridine-3-carboxylate
Also Known As: 7-(3-(N-Methylnicotinyloxyethylamino)-2-hydroxypropyl)theophylline, 7-Theophyllineethanol, alpha-(N-methylnicotinoyloxyethylaminomethyl)-, 2-[[3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-2-hydroxypropyl]-methylamino]ethyl pyridine-3-carboxylate, 2-{[3-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-2-hydroxypropyl](methyl)amino}ethyl pyridine-3-carboxylate, 2-{[3-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)-2-hydroxypropyl](methyl)amino}ethyl pyridine-3-carboxylate
| Molecular Formula | C19H24N6O5 |
|---|---|
| Molecular Weight | 416.18 g/mol |
| LogP | -1.0216 |
| Topological Polar Surface Area | 124.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 416.18082 |
| Heavy Atoms | 30 |
| Complexity | 1149.9167 |
Chemical Identifiers
| CAS Number | 51920-73-1 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN(C)CCOC(=O)C3=CN=CC=C3)O |
Product Overview
7-Theophyllineethanol, alpha-(N-methylnicotinoyloxyethylaminomethyl)- (CAS 51920-73-1), with molecular formula C19H24N6O5 and molecular weight 416.18 g/mol. IUPAC: 2-[[3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-2-hydroxypropyl]-methylamino]ethyl pyridine-3-carboxylate.
Chemical Property Profile of 7-Theophyllineethanol, alpha-(N-methylnicotinoyloxyethylaminomethyl)-
Property Insights of 7-Theophyllineethanol, alpha-(N-methylnicotinoyloxyethylaminomethyl)-
The XLogP value of -1.0216 indicates that 7-Theophyllineethanol, alpha-(N-methylnicotinoyloxyethylaminomethyl)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 124.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Theophyllineethanol, alpha-(N-methylnicotinoyloxyethylaminomethyl)-. Following Lipinski's Rule of Five, 7-Theophyllineethanol, alpha-(N-methylnicotinoyloxyethylaminomethyl)- has 1 hydrogen bond donor(s) and 8 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-Theophyllineethanol, alpha-(N-methylnicotinoyloxyethylaminomethyl)-?
The CAS number of 7-Theophyllineethanol, alpha-(N-methylnicotinoyloxyethylaminomethyl)- is 51920-73-1.
What is the molecular formula of 7-Theophyllineethanol, alpha-(N-methylnicotinoyloxyethylaminomethyl)-?
The molecular formula of 7-Theophyllineethanol, alpha-(N-methylnicotinoyloxyethylaminomethyl)- is C19H24N6O5.
What is the molecular weight of 7-Theophyllineethanol, alpha-(N-methylnicotinoyloxyethylaminomethyl)-?
The molecular weight of 7-Theophyllineethanol, alpha-(N-methylnicotinoyloxyethylaminomethyl)- is 416.18 g/mol.
Where can I buy 7-Theophyllineethanol, alpha-(N-methylnicotinoyloxyethylaminomethyl)-?
You can request a quote for 7-Theophyllineethanol, alpha-(N-methylnicotinoyloxyethylaminomethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Theophyllineethanol, alpha-(N-methylnicotinoyloxyethylaminomethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 7-Theophyllineethanol, alpha-(N-methylnicotinoyloxyethylaminomethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.