Theophylline, 7-(2-hydroxy-3-(4-(p-methoxybenzyl)-1-piperazinyl)propyl)-
TL;DR: Theophylline, 7-(2-hydroxy-3-(4-(p-methoxybenzyl)-1-piperazinyl)propyl)- (CAS 56523-61-6) is a chemical compound with molecular formula C22H30N6O4 and molecular weight 442.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[2-hydroxy-3-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propyl]-1,3-dimethylpurine-2,6-dione
Also Known As: 5-26-14-00059 (Beilstein Handbook Reference), Theophylline, 7-(2-hydroxy-3-(4-(p-methoxybenzyl)-1-piperazinyl)propyl)-, 1-Piperazineethanol, alpha-(1,3-dimethyl-7-xanthinylmethyl)-4-(p-methoxybenzyl)-, 7-{2-hydroxy-3-[4-(4-methoxybenzyl)piperazin-1-yl]propyl}-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione, Theophylline, 7-[2-hydroxy-3-[4-(p-methoxybenzyl)-1-piperazinyl]propyl]-
| Molecular Formula | C22H30N6O4 |
|---|---|
| Molecular Weight | 442.23 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 94.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 442.23285 |
| Heavy Atoms | 32 |
| Complexity | 665.0 |
Chemical Identifiers
| CAS Number | 56523-61-6 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN3CCN(CC3)CC4=CC=C(C=C4)OC)O |
| InChIKey | AAPHFBIWUCKJCF-UHFFFAOYSA-N |
Product Overview
Theophylline, 7-(2-hydroxy-3-(4-(p-methoxybenzyl)-1-piperazinyl)propyl)- (CAS 56523-61-6), with molecular formula C22H30N6O4 and molecular weight 442.23 g/mol. IUPAC: 7-[2-hydroxy-3-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of Theophylline, 7-(2-hydroxy-3-(4-(p-methoxybenzyl)-1-piperazinyl)propyl)-
Property Insights of Theophylline, 7-(2-hydroxy-3-(4-(p-methoxybenzyl)-1-piperazinyl)propyl)-
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Theophylline, 7-(2-hydroxy-3-(4-(p-methoxybenzyl)-1-piperazinyl)propyl)-. The TPSA of 94.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Theophylline, 7-(2-hydroxy-3-(4-(p-methoxybenzyl)-1-piperazinyl)propyl)-. Following Lipinski's Rule of Five, Theophylline, 7-(2-hydroxy-3-(4-(p-methoxybenzyl)-1-piperazinyl)propyl)- has 1 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-(p-methoxybenzyl)-1-piperazinyl)propyl)-?
The CAS number of Theophylline, 7-(2-hydroxy-3-(4-(p-methoxybenzyl)-1-piperazinyl)propyl)- is 56523-61-6.
What is the molecular formula of Theophylline, 7-(2-hydroxy-3-(4-(p-methoxybenzyl)-1-piperazinyl)propyl)-?
The molecular formula of Theophylline, 7-(2-hydroxy-3-(4-(p-methoxybenzyl)-1-piperazinyl)propyl)- is C22H30N6O4.
What is the molecular weight of Theophylline, 7-(2-hydroxy-3-(4-(p-methoxybenzyl)-1-piperazinyl)propyl)-?
The molecular weight of Theophylline, 7-(2-hydroxy-3-(4-(p-methoxybenzyl)-1-piperazinyl)propyl)- is 442.23 g/mol.
Where can I buy Theophylline, 7-(2-hydroxy-3-(4-(p-methoxybenzyl)-1-piperazinyl)propyl)-?
You can request a quote for Theophylline, 7-(2-hydroxy-3-(4-(p-methoxybenzyl)-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-(p-methoxybenzyl)-1-piperazinyl)propyl)-?
Yes, KEHONG BIO provides custom synthesis services for Theophylline, 7-(2-hydroxy-3-(4-(p-methoxybenzyl)-1-piperazinyl)propyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.