8-(Benzylamino)-7-(2-hydroxy-3-(4-benzyl-1-piperazinyl)propyl)theophylline dihydrochloride
TL;DR: 8-(Benzylamino)-7-(2-hydroxy-3-(4-benzyl-1-piperazinyl)propyl)theophylline dihydrochloride (CAS 105319-52-6) is a chemical compound with molecular formula C28H37Cl2N7O3 and molecular weight 589.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(benzylamino)-7-[3-(4-benzylpiperazin-1-yl)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione;dihydrochloride
Also Known As: 8-(Benzylamino)-7-(2-hydroxy-3-(4-benzyl-1-piperazinyl)propyl)theophylline dihydrochloride, Theophylline, 8-(benzylamino)-7-(2-hydroxy-3-(4-benzyl-1-piperazinyl)propyl)-, dihydrochloride, 8-(benzylamino)-7-[3-(4-benzylpiperazin-1-yl)-2-hydroxy-propyl]-1,3-di methyl-purine-2,6-dione dihyd, 8-(benzylamino)-7-[3-(4-benzylpiperazin-1-yl)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione;dihydrochloride, 8-(benzylamino)-7-[3-(4-benzylpiperazin-1-yl)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione dihydrochloride
| Molecular Formula | C28H37Cl2N7O3 |
|---|---|
| Molecular Weight | 589.23 g/mol |
| LogP | 2.0681 |
| Topological Polar Surface Area | 100.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 589.2335 |
| Heavy Atoms | 40 |
| Complexity | 1497.8594 |
Chemical Identifiers
| CAS Number | 105319-52-6 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CC=CC=C3)CC(CN4CCN(CC4)CC5=CC=CC=C5)O.Cl.Cl |
Product Overview
8-(Benzylamino)-7-(2-hydroxy-3-(4-benzyl-1-piperazinyl)propyl)theophylline dihydrochloride (CAS 105319-52-6), with molecular formula C28H37Cl2N7O3 and molecular weight 589.23 g/mol. IUPAC: 8-(benzylamino)-7-[3-(4-benzylpiperazin-1-yl)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione;dihydrochloride.
Chemical Property Profile of 8-(Benzylamino)-7-(2-hydroxy-3-(4-benzyl-1-piperazinyl)propyl)theophylline dihydrochloride
Property Insights of 8-(Benzylamino)-7-(2-hydroxy-3-(4-benzyl-1-piperazinyl)propyl)theophylline dihydrochloride
The XLogP value of 2.0681 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(Benzylamino)-7-(2-hydroxy-3-(4-benzyl-1-piperazinyl)propyl)theophylline dihydrochloride. The TPSA of 100.56 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(Benzylamino)-7-(2-hydroxy-3-(4-benzyl-1-piperazinyl)propyl)theophylline dihydrochloride. Following Lipinski's Rule of Five, 8-(Benzylamino)-7-(2-hydroxy-3-(4-benzyl-1-piperazinyl)propyl)theophylline dihydrochloride has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 8-(Benzylamino)-7-(2-hydroxy-3-(4-benzyl-1-piperazinyl)propyl)theophylline dihydrochloride?
The CAS number of 8-(Benzylamino)-7-(2-hydroxy-3-(4-benzyl-1-piperazinyl)propyl)theophylline dihydrochloride is 105319-52-6.
What is the molecular formula of 8-(Benzylamino)-7-(2-hydroxy-3-(4-benzyl-1-piperazinyl)propyl)theophylline dihydrochloride?
The molecular formula of 8-(Benzylamino)-7-(2-hydroxy-3-(4-benzyl-1-piperazinyl)propyl)theophylline dihydrochloride is C28H37Cl2N7O3.
What is the molecular weight of 8-(Benzylamino)-7-(2-hydroxy-3-(4-benzyl-1-piperazinyl)propyl)theophylline dihydrochloride?
The molecular weight of 8-(Benzylamino)-7-(2-hydroxy-3-(4-benzyl-1-piperazinyl)propyl)theophylline dihydrochloride is 589.23 g/mol.
Where can I buy 8-(Benzylamino)-7-(2-hydroxy-3-(4-benzyl-1-piperazinyl)propyl)theophylline dihydrochloride?
You can request a quote for 8-(Benzylamino)-7-(2-hydroxy-3-(4-benzyl-1-piperazinyl)propyl)theophylline dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-(Benzylamino)-7-(2-hydroxy-3-(4-benzyl-1-piperazinyl)propyl)theophylline dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 8-(Benzylamino)-7-(2-hydroxy-3-(4-benzyl-1-piperazinyl)propyl)theophylline dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.