Theophylline, 7-(2-(4-(2-furoyl)-1-piperazinyl)ethyl)-
TL;DR: Theophylline, 7-(2-(4-(2-furoyl)-1-piperazinyl)ethyl)- (CAS 86071-02-5) is a chemical compound with molecular formula C18H22N6O4 and molecular weight 386.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-1,3-dimethylpurine-2,6-dione
Also Known As: Sgd 269 76, Theophylline, 7-(2-(4-(2-furoyl)-1-piperazinyl)ethyl)-, 7-(2-(4-(2-Furoyl)-1-piperazinyl)ethyl)theophylline, 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-(4-(2-furanylcarbonyl)-1-piperazinyl)ethyl), 7-{2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C18H22N6O4 |
|---|---|
| Molecular Weight | 386.17 g/mol |
| LogP | -0.5153 |
| Topological Polar Surface Area | 98.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 386.17026 |
| Heavy Atoms | 28 |
| Complexity | 1115.5935 |
Chemical Identifiers
| CAS Number | 86071-02-5 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCN3CCN(CC3)C(=O)C4=CC=CO4 |
Product Overview
Theophylline, 7-(2-(4-(2-furoyl)-1-piperazinyl)ethyl)- (CAS 86071-02-5), with molecular formula C18H22N6O4 and molecular weight 386.17 g/mol. IUPAC: 7-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of Theophylline, 7-(2-(4-(2-furoyl)-1-piperazinyl)ethyl)-
Property Insights of Theophylline, 7-(2-(4-(2-furoyl)-1-piperazinyl)ethyl)-
The XLogP value of -0.5153 indicates that Theophylline, 7-(2-(4-(2-furoyl)-1-piperazinyl)ethyl)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 98.51 Ų falls within the moderate polarity range, balancing permeability and solubility for Theophylline, 7-(2-(4-(2-furoyl)-1-piperazinyl)ethyl)-. Following Lipinski's Rule of Five, Theophylline, 7-(2-(4-(2-furoyl)-1-piperazinyl)ethyl)- has 0 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 Theophylline, 7-(2-(4-(2-furoyl)-1-piperazinyl)ethyl)-?
The CAS number of Theophylline, 7-(2-(4-(2-furoyl)-1-piperazinyl)ethyl)- is 86071-02-5.
What is the molecular formula of Theophylline, 7-(2-(4-(2-furoyl)-1-piperazinyl)ethyl)-?
The molecular formula of Theophylline, 7-(2-(4-(2-furoyl)-1-piperazinyl)ethyl)- is C18H22N6O4.
What is the molecular weight of Theophylline, 7-(2-(4-(2-furoyl)-1-piperazinyl)ethyl)-?
The molecular weight of Theophylline, 7-(2-(4-(2-furoyl)-1-piperazinyl)ethyl)- is 386.17 g/mol.
Where can I buy Theophylline, 7-(2-(4-(2-furoyl)-1-piperazinyl)ethyl)-?
You can request a quote for Theophylline, 7-(2-(4-(2-furoyl)-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-(2-furoyl)-1-piperazinyl)ethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Theophylline, 7-(2-(4-(2-furoyl)-1-piperazinyl)ethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.