Theophylline, 7-(2-hydroxy-3-(4-naphthobenzyl-1-piperazinyl)propyl)-, dihydrochloride
TL;DR: Theophylline, 7-(2-hydroxy-3-(4-naphthobenzyl-1-piperazinyl)propyl)-, dihydrochloride (CAS 22912-24-9) is a chemical compound with molecular formula C25H32Cl2N6O3 and molecular weight 534.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[2-hydroxy-3-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propyl]-1,3-dimethylpurine-2,6-dione;dihydrochloride
Also Known As: Theophylline, 7-(2-hydroxy-3-(4-naphthobenzyl-1-piperazinyl)propyl)-, dihydrochloride, 1-Piperazineethanol, alpha-(1,3-dimethyl-7-xanthinylmethyl)-4-(1-naphthobenzyl)-, dihydrochloride, 7-{2-hydroxy-3-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propyl}-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione dihydrochloride, Theophylline, 7-[2-hydroxy-3-[4-(1-naphthylmethyl)-1-piperazinyl]propyl]-, dihydrochloride, 7-(2-Hydroxy-3-{4-[(naphthalen-1-yl)methyl]piperazin-1-yl}propyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione--hydrogen chloride (1/2)
| Molecular Formula | C25H32Cl2N6O3 |
|---|---|
| Molecular Weight | 534.19 g/mol |
| LogP | 1.6092 |
| Topological Polar Surface Area | 85.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 534.1913 |
| Heavy Atoms | 36 |
| Complexity | 744.0 |
Chemical Identifiers
| CAS Number | 22912-24-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN3CCN(CC3)CC4=CC=CC5=CC=CC=C54)O.Cl.Cl |
| InChIKey | CSCUUKIMEJJIQS-UHFFFAOYSA-N |
Product Overview
Theophylline, 7-(2-hydroxy-3-(4-naphthobenzyl-1-piperazinyl)propyl)-, dihydrochloride (CAS 22912-24-9), with molecular formula C25H32Cl2N6O3 and molecular weight 534.19 g/mol. IUPAC: 7-[2-hydroxy-3-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propyl]-1,3-dimethylpurine-2,6-dione;dihydrochloride.
Chemical Property Profile of Theophylline, 7-(2-hydroxy-3-(4-naphthobenzyl-1-piperazinyl)propyl)-, dihydrochloride
Property Insights of Theophylline, 7-(2-hydroxy-3-(4-naphthobenzyl-1-piperazinyl)propyl)-, dihydrochloride
The XLogP value of 1.6092 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Theophylline, 7-(2-hydroxy-3-(4-naphthobenzyl-1-piperazinyl)propyl)-, dihydrochloride. The TPSA of 85.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Theophylline, 7-(2-hydroxy-3-(4-naphthobenzyl-1-piperazinyl)propyl)-, dihydrochloride. Following Lipinski's Rule of Five, Theophylline, 7-(2-hydroxy-3-(4-naphthobenzyl-1-piperazinyl)propyl)-, dihydrochloride has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Theophylline, 7-(2-hydroxy-3-(4-naphthobenzyl-1-piperazinyl)propyl)-, dihydrochloride?
The CAS number of Theophylline, 7-(2-hydroxy-3-(4-naphthobenzyl-1-piperazinyl)propyl)-, dihydrochloride is 22912-24-9.
What is the molecular formula of Theophylline, 7-(2-hydroxy-3-(4-naphthobenzyl-1-piperazinyl)propyl)-, dihydrochloride?
The molecular formula of Theophylline, 7-(2-hydroxy-3-(4-naphthobenzyl-1-piperazinyl)propyl)-, dihydrochloride is C25H32Cl2N6O3.
What is the molecular weight of Theophylline, 7-(2-hydroxy-3-(4-naphthobenzyl-1-piperazinyl)propyl)-, dihydrochloride?
The molecular weight of Theophylline, 7-(2-hydroxy-3-(4-naphthobenzyl-1-piperazinyl)propyl)-, dihydrochloride is 534.19 g/mol.
Where can I buy Theophylline, 7-(2-hydroxy-3-(4-naphthobenzyl-1-piperazinyl)propyl)-, dihydrochloride?
You can request a quote for Theophylline, 7-(2-hydroxy-3-(4-naphthobenzyl-1-piperazinyl)propyl)-, dihydrochloride 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-hydroxy-3-(4-naphthobenzyl-1-piperazinyl)propyl)-, dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Theophylline, 7-(2-hydroxy-3-(4-naphthobenzyl-1-piperazinyl)propyl)-, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.