Theophylline, 7-(2-(4-benzyl-1-piperazinyl)ethyl)-
TL;DR: Theophylline, 7-(2-(4-benzyl-1-piperazinyl)ethyl)- (CAS 5651-33-2) is a chemical compound with molecular formula C20H26N6O2 and molecular weight 382.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[2-(4-benzylpiperazin-1-yl)ethyl]-1,3-dimethylpurine-2,6-dione
Also Known As: Theophylline, 7-(2-(4-benzyl-1-piperazinyl)ethyl)-, 7-(2-(4-Benzyl-1-piperazino)ethyl)theophylline, 5-26-14-00015 (Beilstein Handbook Reference), Piperazine, 1-benzyl-4-(1,3-dimethylxanthin-7-yl)ethyl-, 7-[2-(4-Benzyl-1-piperazinyl)ethyl]theophyline
| Molecular Formula | C20H26N6O2 |
|---|---|
| Molecular Weight | 382.21 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 64.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 382.21173 |
| Heavy Atoms | 28 |
| Complexity | 573.0 |
Chemical Identifiers
| CAS Number | 5651-33-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCN3CCN(CC3)CC4=CC=CC=C4 |
| InChIKey | HISDWWLNHMDWCQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Theophylline, 7-(2-(4-benzyl-1-piperazinyl)ethyl)- (CAS 5651-33-2), with molecular formula C20H26N6O2 and molecular weight 382.21 g/mol. IUPAC: 7-[2-(4-benzylpiperazin-1-yl)ethyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of Theophylline, 7-(2-(4-benzyl-1-piperazinyl)ethyl)-
Property Insights of Theophylline, 7-(2-(4-benzyl-1-piperazinyl)ethyl)-
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Theophylline, 7-(2-(4-benzyl-1-piperazinyl)ethyl)-. The TPSA of 64.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Theophylline, 7-(2-(4-benzyl-1-piperazinyl)ethyl)-. Following Lipinski's Rule of Five, Theophylline, 7-(2-(4-benzyl-1-piperazinyl)ethyl)- has 0 hydrogen bond donor(s) and 5 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-(4-benzyl-1-piperazinyl)ethyl)-?
The CAS number of Theophylline, 7-(2-(4-benzyl-1-piperazinyl)ethyl)- is 5651-33-2.
What is the molecular formula of Theophylline, 7-(2-(4-benzyl-1-piperazinyl)ethyl)-?
The molecular formula of Theophylline, 7-(2-(4-benzyl-1-piperazinyl)ethyl)- is C20H26N6O2.
What is the molecular weight of Theophylline, 7-(2-(4-benzyl-1-piperazinyl)ethyl)-?
The molecular weight of Theophylline, 7-(2-(4-benzyl-1-piperazinyl)ethyl)- is 382.21 g/mol.
Where can I buy Theophylline, 7-(2-(4-benzyl-1-piperazinyl)ethyl)-?
You can request a quote for Theophylline, 7-(2-(4-benzyl-1-piperazinyl)ethyl)- 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-(4-benzyl-1-piperazinyl)ethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Theophylline, 7-(2-(4-benzyl-1-piperazinyl)ethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.