8-Piperazinotheophylline
TL;DR: 8-Piperazinotheophylline (CAS 54119-63-0) is a chemical compound with molecular formula C14H20N6O4 and molecular weight 336.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)piperazine-1-carboxylate
Also Known As: 8-Piperazinotheophylline, 8-Teofillinapiperazina, 8-Teofillinapiperazina [Italian], AT-057/42580113, N1-(Theophyllinyl-8-)-N4-aethoxycarbonylpiperazin
| Molecular Formula | C14H20N6O4 |
|---|---|
| Molecular Weight | 336.15 g/mol |
| LogP | -0.7612 |
| Topological Polar Surface Area | 105.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 336.1546 |
| Heavy Atoms | 24 |
| Complexity | 887.02734 |
Chemical Identifiers
| CAS Number | 54119-63-0 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C2=NC3=C(N2)C(=O)N(C(=O)N3C)C |
Product Overview
8-Piperazinotheophylline (CAS 54119-63-0), with molecular formula C14H20N6O4 and molecular weight 336.15 g/mol. IUPAC: ethyl 4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)piperazine-1-carboxylate.
Chemical Property Profile of 8-Piperazinotheophylline
Property Insights of 8-Piperazinotheophylline
The XLogP value of -0.7612 indicates that 8-Piperazinotheophylline is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 105.46 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-Piperazinotheophylline. Following Lipinski's Rule of Five, 8-Piperazinotheophylline has 1 hydrogen bond donor(s) and 6 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 8-Piperazinotheophylline?
The CAS number of 8-Piperazinotheophylline is 54119-63-0.
What is the molecular formula of 8-Piperazinotheophylline?
The molecular formula of 8-Piperazinotheophylline is C14H20N6O4.
What is the molecular weight of 8-Piperazinotheophylline?
The molecular weight of 8-Piperazinotheophylline is 336.15 g/mol.
Where can I buy 8-Piperazinotheophylline?
You can request a quote for 8-Piperazinotheophylline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Piperazinotheophylline?
Yes, KEHONG BIO provides custom synthesis services for 8-Piperazinotheophylline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.