Theophylline, 7-(2-benzoyloxy-3-(4-ethoxycarbonyl-1-piperazinyl)propyl)-
TL;DR: Theophylline, 7-(2-benzoyloxy-3-(4-ethoxycarbonyl-1-piperazinyl)propyl)- (CAS 22929-52-8) is a chemical compound with molecular formula C24H30N6O6 and molecular weight 498.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[2-benzoyloxy-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propyl]piperazine-1-carboxylate
Also Known As: Theophylline, 7-(2-benzoyloxy-3-(4-ethoxycarbonyl-1-piperazinyl)propyl)-, 1-Piperazinecarboxylic acid, 4-(2-benzoyloxy-3-(1,3-dimethyl-7-xanthinyl)propyl)-, ethylester, ethyl 4-[2-benzoyloxy-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propyl]piperazine-1-carboxylate, Ethyl 4-[2-(benzoyloxy)-3-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)propyl]-1-piperazinecarboxylate, ethyl 4-[2-(benzoyloxy)-3-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7h-purin-7-yl)propyl]piperazine-1-carboxylate
| Molecular Formula | C24H30N6O6 |
|---|---|
| Molecular Weight | 498.22 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 498.2227 |
| Heavy Atoms | 36 |
| Complexity | 828.0 |
Chemical Identifiers
| CAS Number | 22929-52-8 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)CC(CN2C=NC3=C2C(=O)N(C(=O)N3C)C)OC(=O)C4=CC=CC=C4 |
| InChIKey | SBCDETAPNIEMGJ-UHFFFAOYSA-N |
Product Overview
Theophylline, 7-(2-benzoyloxy-3-(4-ethoxycarbonyl-1-piperazinyl)propyl)- (CAS 22929-52-8), with molecular formula C24H30N6O6 and molecular weight 498.22 g/mol. IUPAC: ethyl 4-[2-benzoyloxy-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propyl]piperazine-1-carboxylate.
Chemical Property Profile of Theophylline, 7-(2-benzoyloxy-3-(4-ethoxycarbonyl-1-piperazinyl)propyl)-
Property Insights of Theophylline, 7-(2-benzoyloxy-3-(4-ethoxycarbonyl-1-piperazinyl)propyl)-
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Theophylline, 7-(2-benzoyloxy-3-(4-ethoxycarbonyl-1-piperazinyl)propyl)-. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Theophylline, 7-(2-benzoyloxy-3-(4-ethoxycarbonyl-1-piperazinyl)propyl)-. Following Lipinski's Rule of Five, Theophylline, 7-(2-benzoyloxy-3-(4-ethoxycarbonyl-1-piperazinyl)propyl)- has 0 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 Theophylline, 7-(2-benzoyloxy-3-(4-ethoxycarbonyl-1-piperazinyl)propyl)-?
The CAS number of Theophylline, 7-(2-benzoyloxy-3-(4-ethoxycarbonyl-1-piperazinyl)propyl)- is 22929-52-8.
What is the molecular formula of Theophylline, 7-(2-benzoyloxy-3-(4-ethoxycarbonyl-1-piperazinyl)propyl)-?
The molecular formula of Theophylline, 7-(2-benzoyloxy-3-(4-ethoxycarbonyl-1-piperazinyl)propyl)- is C24H30N6O6.
What is the molecular weight of Theophylline, 7-(2-benzoyloxy-3-(4-ethoxycarbonyl-1-piperazinyl)propyl)-?
The molecular weight of Theophylline, 7-(2-benzoyloxy-3-(4-ethoxycarbonyl-1-piperazinyl)propyl)- is 498.22 g/mol.
Where can I buy Theophylline, 7-(2-benzoyloxy-3-(4-ethoxycarbonyl-1-piperazinyl)propyl)-?
You can request a quote for Theophylline, 7-(2-benzoyloxy-3-(4-ethoxycarbonyl-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-benzoyloxy-3-(4-ethoxycarbonyl-1-piperazinyl)propyl)-?
Yes, KEHONG BIO provides custom synthesis services for Theophylline, 7-(2-benzoyloxy-3-(4-ethoxycarbonyl-1-piperazinyl)propyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.