Theophylline, 7-(2-(4-methyl-1-piperazinyl)ethyl)-, hydrobromide
TL;DR: Theophylline, 7-(2-(4-methyl-1-piperazinyl)ethyl)-, hydrobromide (CAS 53499-64-2) is a chemical compound with molecular formula C14H23BrN6O2 and molecular weight 386.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-7-[2-(4-methylpiperazin-1-yl)ethyl]purine-2,6-dione;hydrobromide
Also Known As: Theophylline, 7-(2-(4-methyl-1-piperazinyl)ethyl)-, hydrobromide, 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-(4-methyl-1-piperazinyl)ethyl)-, hydrobromide, N(sup 1)-Theophyllinylethyl-N(sup 4)-methylpiperazine hydrobromide, 1,3-dimethyl-7-[2-(4-methylpiperazin-1-yl)ethyl]purine-2,6-dione hydrobromide, 1,3-Dimethyl-7-[2-(4-methylpiperazin-1-yl)ethyl]-3,7-dihydro-1H-purine-2,6-dione--hydrogen bromide (1/1)
| Molecular Formula | C14H23BrN6O2 |
|---|---|
| Molecular Weight | 386.11 g/mol |
| LogP | -0.741 |
| Topological Polar Surface Area | 68.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 386.1066 |
| Heavy Atoms | 23 |
| Complexity | 799.926 |
Chemical Identifiers
| CAS Number | 53499-64-2 |
|---|---|
| SMILES | CN1CCN(CC1)CCN2C=NC3=C2C(=O)N(C(=O)N3C)C.Br |
Product Overview
Theophylline, 7-(2-(4-methyl-1-piperazinyl)ethyl)-, hydrobromide (CAS 53499-64-2), with molecular formula C14H23BrN6O2 and molecular weight 386.11 g/mol. IUPAC: 1,3-dimethyl-7-[2-(4-methylpiperazin-1-yl)ethyl]purine-2,6-dione;hydrobromide.
Chemical Property Profile of Theophylline, 7-(2-(4-methyl-1-piperazinyl)ethyl)-, hydrobromide
Property Insights of Theophylline, 7-(2-(4-methyl-1-piperazinyl)ethyl)-, hydrobromide
The XLogP value of -0.741 indicates that Theophylline, 7-(2-(4-methyl-1-piperazinyl)ethyl)-, hydrobromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Theophylline, 7-(2-(4-methyl-1-piperazinyl)ethyl)-, hydrobromide. Following Lipinski's Rule of Five, Theophylline, 7-(2-(4-methyl-1-piperazinyl)ethyl)-, hydrobromide 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-methyl-1-piperazinyl)ethyl)-, hydrobromide?
The CAS number of Theophylline, 7-(2-(4-methyl-1-piperazinyl)ethyl)-, hydrobromide is 53499-64-2.
What is the molecular formula of Theophylline, 7-(2-(4-methyl-1-piperazinyl)ethyl)-, hydrobromide?
The molecular formula of Theophylline, 7-(2-(4-methyl-1-piperazinyl)ethyl)-, hydrobromide is C14H23BrN6O2.
What is the molecular weight of Theophylline, 7-(2-(4-methyl-1-piperazinyl)ethyl)-, hydrobromide?
The molecular weight of Theophylline, 7-(2-(4-methyl-1-piperazinyl)ethyl)-, hydrobromide is 386.11 g/mol.
Where can I buy Theophylline, 7-(2-(4-methyl-1-piperazinyl)ethyl)-, hydrobromide?
You can request a quote for Theophylline, 7-(2-(4-methyl-1-piperazinyl)ethyl)-, hydrobromide 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-methyl-1-piperazinyl)ethyl)-, hydrobromide?
Yes, KEHONG BIO provides custom synthesis services for Theophylline, 7-(2-(4-methyl-1-piperazinyl)ethyl)-, hydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.