Theophylline, 7-(2-hydroxy-3-(4-(2-hydroxyethyl)-1-piperazinyl)propyl)-
TL;DR: Theophylline, 7-(2-hydroxy-3-(4-(2-hydroxyethyl)-1-piperazinyl)propyl)- (CAS 19971-97-2) is a chemical compound with molecular formula C16H26N6O4 and molecular weight 366.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]-1,3-dimethylpurine-2,6-dione
Also Known As: 7-(2-Hydroxy-3-(4-(2-hydroxyethyl)-1-piperazinyl)propyl)theophylline, 5-26-14-00058 (Beilstein Handbook Reference), 7-[2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]-1,3-dimethylpurine-2,6-dione, Theophylline, 7-(2-hydroxy-3-(4-(2-hydroxyethyl)-1-piperazinyl)propyl)-, 7-{2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl}-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione
| Molecular Formula | C16H26N6O4 |
|---|---|
| Molecular Weight | 366.20 g/mol |
| LogP | -2.0 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 366.20154 |
| Heavy Atoms | 26 |
| Complexity | 527.0 |
Chemical Identifiers
| CAS Number | 19971-97-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN3CCN(CC3)CCO)O |
| InChIKey | CGKZFYZCYGGHLU-UHFFFAOYSA-N |
Product Overview
Theophylline, 7-(2-hydroxy-3-(4-(2-hydroxyethyl)-1-piperazinyl)propyl)- (CAS 19971-97-2), with molecular formula C16H26N6O4 and molecular weight 366.20 g/mol. IUPAC: 7-[2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of Theophylline, 7-(2-hydroxy-3-(4-(2-hydroxyethyl)-1-piperazinyl)propyl)-
Property Insights of Theophylline, 7-(2-hydroxy-3-(4-(2-hydroxyethyl)-1-piperazinyl)propyl)-
The XLogP value of -2.0 indicates that Theophylline, 7-(2-hydroxy-3-(4-(2-hydroxyethyl)-1-piperazinyl)propyl)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Theophylline, 7-(2-hydroxy-3-(4-(2-hydroxyethyl)-1-piperazinyl)propyl)-. Following Lipinski's Rule of Five, Theophylline, 7-(2-hydroxy-3-(4-(2-hydroxyethyl)-1-piperazinyl)propyl)- has 2 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-(2-hydroxy-3-(4-(2-hydroxyethyl)-1-piperazinyl)propyl)-?
The CAS number of Theophylline, 7-(2-hydroxy-3-(4-(2-hydroxyethyl)-1-piperazinyl)propyl)- is 19971-97-2.
What is the molecular formula of Theophylline, 7-(2-hydroxy-3-(4-(2-hydroxyethyl)-1-piperazinyl)propyl)-?
The molecular formula of Theophylline, 7-(2-hydroxy-3-(4-(2-hydroxyethyl)-1-piperazinyl)propyl)- is C16H26N6O4.
What is the molecular weight of Theophylline, 7-(2-hydroxy-3-(4-(2-hydroxyethyl)-1-piperazinyl)propyl)-?
The molecular weight of Theophylline, 7-(2-hydroxy-3-(4-(2-hydroxyethyl)-1-piperazinyl)propyl)- is 366.20 g/mol.
Where can I buy Theophylline, 7-(2-hydroxy-3-(4-(2-hydroxyethyl)-1-piperazinyl)propyl)-?
You can request a quote for Theophylline, 7-(2-hydroxy-3-(4-(2-hydroxyethyl)-1-piperazinyl)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-(2-hydroxy-3-(4-(2-hydroxyethyl)-1-piperazinyl)propyl)-?
Yes, KEHONG BIO provides custom synthesis services for Theophylline, 7-(2-hydroxy-3-(4-(2-hydroxyethyl)-1-piperazinyl)propyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.