Theophylline, 7-(2-acetoxy-3-(4-phenethyl-1-piperazinyl)propyl)-
TL;DR: Theophylline, 7-(2-acetoxy-3-(4-phenethyl-1-piperazinyl)propyl)- (CAS 56533-66-5) is a chemical compound with molecular formula C24H32N6O4 and molecular weight 468.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(1,3-dimethyl-2,6-dioxopurin-7-yl)-3-[4-(2-phenylethyl)piperazin-1-yl]propan-2-yl] acetate
Also Known As: KST-1B5668, 5-26-14-00059 (Beilstein Handbook Reference), Theophylline, 7-(2-acetoxy-3-(4-phenethyl-1-piperazinyl)propyl)-, 1-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7h-purin-7-yl)-3-[4-(2-phenylethyl)piperazin-1-yl]propan-2-yl acetate, 1-Piperazineethanol, alpha-(1,3-dimethyl-7-xanthinylmethyl)-4-phenethyl-, acetate (ester)
| Molecular Formula | C24H32N6O4 |
|---|---|
| Molecular Weight | 468.25 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 91.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 468.2485 |
| Heavy Atoms | 34 |
| Complexity | 737.0 |
Chemical Identifiers
| CAS Number | 56533-66-5 |
|---|---|
| SMILES | CC(=O)OC(CN1CCN(CC1)CCC2=CC=CC=C2)CN3C=NC4=C3C(=O)N(C(=O)N4C)C |
| InChIKey | GAAJEMZXRGGKTC-UHFFFAOYSA-N |
Product Overview
Theophylline, 7-(2-acetoxy-3-(4-phenethyl-1-piperazinyl)propyl)- (CAS 56533-66-5), with molecular formula C24H32N6O4 and molecular weight 468.25 g/mol. IUPAC: [1-(1,3-dimethyl-2,6-dioxopurin-7-yl)-3-[4-(2-phenylethyl)piperazin-1-yl]propan-2-yl] acetate.
Chemical Property Profile of Theophylline, 7-(2-acetoxy-3-(4-phenethyl-1-piperazinyl)propyl)-
Property Insights of Theophylline, 7-(2-acetoxy-3-(4-phenethyl-1-piperazinyl)propyl)-
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Theophylline, 7-(2-acetoxy-3-(4-phenethyl-1-piperazinyl)propyl)-. The TPSA of 91.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Theophylline, 7-(2-acetoxy-3-(4-phenethyl-1-piperazinyl)propyl)-. Following Lipinski's Rule of Five, Theophylline, 7-(2-acetoxy-3-(4-phenethyl-1-piperazinyl)propyl)- has 0 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-acetoxy-3-(4-phenethyl-1-piperazinyl)propyl)-?
The CAS number of Theophylline, 7-(2-acetoxy-3-(4-phenethyl-1-piperazinyl)propyl)- is 56533-66-5.
What is the molecular formula of Theophylline, 7-(2-acetoxy-3-(4-phenethyl-1-piperazinyl)propyl)-?
The molecular formula of Theophylline, 7-(2-acetoxy-3-(4-phenethyl-1-piperazinyl)propyl)- is C24H32N6O4.
What is the molecular weight of Theophylline, 7-(2-acetoxy-3-(4-phenethyl-1-piperazinyl)propyl)-?
The molecular weight of Theophylline, 7-(2-acetoxy-3-(4-phenethyl-1-piperazinyl)propyl)- is 468.25 g/mol.
Where can I buy Theophylline, 7-(2-acetoxy-3-(4-phenethyl-1-piperazinyl)propyl)-?
You can request a quote for Theophylline, 7-(2-acetoxy-3-(4-phenethyl-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-acetoxy-3-(4-phenethyl-1-piperazinyl)propyl)-?
Yes, KEHONG BIO provides custom synthesis services for Theophylline, 7-(2-acetoxy-3-(4-phenethyl-1-piperazinyl)propyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.