7-beta-Piperazinoethyltheophylline dihydrochloride
TL;DR: 7-beta-Piperazinoethyltheophylline dihydrochloride (CAS 53499-66-4) is a chemical compound with molecular formula C13H22Cl2N6O2 and molecular weight 364.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-7-(2-piperazin-1-ylethyl)purine-2,6-dione;dihydrochloride
Also Known As: 7-beta-Piperazinoethyltheophylline dihydrochloride, Theophylline, 7-(2-(1-piperazinyl)ethyl)-, dihydrochloride, 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-(1-piperazinyl)ethyl)-, dihydrochloride, 1,3-dimethyl-7-(2-piperazin-1-ylethyl)purine-2,6-dione,dihyd, 1,3-Dimethyl-7-(2-(piperazin-1-yl)ethyl)-1H-purine-2,6(3H,7H)-dione dihydrochloride
| Molecular Formula | C13H22Cl2N6O2 |
|---|---|
| Molecular Weight | 364.12 g/mol |
| LogP | -0.8175 |
| Topological Polar Surface Area | 77.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 364.11813 |
| Heavy Atoms | 23 |
| Complexity | 775.0883 |
Chemical Identifiers
| CAS Number | 53499-66-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCN3CCNCC3.Cl.Cl |
Product Overview
7-beta-Piperazinoethyltheophylline dihydrochloride (CAS 53499-66-4), with molecular formula C13H22Cl2N6O2 and molecular weight 364.12 g/mol. IUPAC: 1,3-dimethyl-7-(2-piperazin-1-ylethyl)purine-2,6-dione;dihydrochloride.
Chemical Property Profile of 7-beta-Piperazinoethyltheophylline dihydrochloride
Property Insights of 7-beta-Piperazinoethyltheophylline dihydrochloride
The XLogP value of -0.8175 indicates that 7-beta-Piperazinoethyltheophylline dihydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 77.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-beta-Piperazinoethyltheophylline dihydrochloride. Following Lipinski's Rule of Five, 7-beta-Piperazinoethyltheophylline dihydrochloride has 1 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 7-beta-Piperazinoethyltheophylline dihydrochloride?
The CAS number of 7-beta-Piperazinoethyltheophylline dihydrochloride is 53499-66-4.
What is the molecular formula of 7-beta-Piperazinoethyltheophylline dihydrochloride?
The molecular formula of 7-beta-Piperazinoethyltheophylline dihydrochloride is C13H22Cl2N6O2.
What is the molecular weight of 7-beta-Piperazinoethyltheophylline dihydrochloride?
The molecular weight of 7-beta-Piperazinoethyltheophylline dihydrochloride is 364.12 g/mol.
Where can I buy 7-beta-Piperazinoethyltheophylline dihydrochloride?
You can request a quote for 7-beta-Piperazinoethyltheophylline dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-beta-Piperazinoethyltheophylline dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 7-beta-Piperazinoethyltheophylline dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.