Theophylline, 7-(4-(4-(p-chlorophenyl)-1-piperazinyl)butyl)-, dihydrochloride
TL;DR: Theophylline, 7-(4-(4-(p-chlorophenyl)-1-piperazinyl)butyl)-, dihydrochloride (CAS 87798-85-4) is a chemical compound with molecular formula C21H29Cl3N6O2 and molecular weight 502.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-1,3-dimethylpurine-2,6-dione;dihydrochloride
Also Known As: Theophylline, 7-(4-(4-(p-chlorophenyl)-1-piperazinyl)butyl)-, dihydrochloride, 7-(4-(4-(p-Chlorophenyl)-1-piperazinyl)butyl)theophylline dihydrochloride, 1H-Purine-2,6-dione, 3,7-dihydro-7-(4-(4-(4-chlorophenyl)-1-piperazinyl)butyl)-1,3-dimethyl-,, 7-(4-(4-(p-Chlorophenyl)piperazinyl-(1))-n-butyl)-theophyllin dihydrochlorid [German], 7-(4-(4-(p-Chlorophenyl)piperazinyl-(1))-n-butyl)-theophyllin dihydrochlorid
| Molecular Formula | C21H29Cl3N6O2 |
|---|---|
| Molecular Weight | 502.14 g/mol |
| LogP | 2.5331 |
| Topological Polar Surface Area | 68.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 502.14175 |
| Heavy Atoms | 32 |
| Complexity | 1147.2819 |
Chemical Identifiers
| CAS Number | 87798-85-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCN3CCN(CC3)C4=CC=C(C=C4)Cl.Cl.Cl |
Product Overview
Theophylline, 7-(4-(4-(p-chlorophenyl)-1-piperazinyl)butyl)-, dihydrochloride (CAS 87798-85-4), with molecular formula C21H29Cl3N6O2 and molecular weight 502.14 g/mol. IUPAC: 7-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-1,3-dimethylpurine-2,6-dione;dihydrochloride.
Chemical Property Profile of Theophylline, 7-(4-(4-(p-chlorophenyl)-1-piperazinyl)butyl)-, dihydrochloride
Property Insights of Theophylline, 7-(4-(4-(p-chlorophenyl)-1-piperazinyl)butyl)-, dihydrochloride
The XLogP value of 2.5331 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Theophylline, 7-(4-(4-(p-chlorophenyl)-1-piperazinyl)butyl)-, dihydrochloride. The TPSA of 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Theophylline, 7-(4-(4-(p-chlorophenyl)-1-piperazinyl)butyl)-, dihydrochloride. Following Lipinski's Rule of Five, Theophylline, 7-(4-(4-(p-chlorophenyl)-1-piperazinyl)butyl)-, dihydrochloride has 0 hydrogen bond donor(s) and 5 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-(4-(4-(p-chlorophenyl)-1-piperazinyl)butyl)-, dihydrochloride?
The CAS number of Theophylline, 7-(4-(4-(p-chlorophenyl)-1-piperazinyl)butyl)-, dihydrochloride is 87798-85-4.
What is the molecular formula of Theophylline, 7-(4-(4-(p-chlorophenyl)-1-piperazinyl)butyl)-, dihydrochloride?
The molecular formula of Theophylline, 7-(4-(4-(p-chlorophenyl)-1-piperazinyl)butyl)-, dihydrochloride is C21H29Cl3N6O2.
What is the molecular weight of Theophylline, 7-(4-(4-(p-chlorophenyl)-1-piperazinyl)butyl)-, dihydrochloride?
The molecular weight of Theophylline, 7-(4-(4-(p-chlorophenyl)-1-piperazinyl)butyl)-, dihydrochloride is 502.14 g/mol.
Where can I buy Theophylline, 7-(4-(4-(p-chlorophenyl)-1-piperazinyl)butyl)-, dihydrochloride?
You can request a quote for Theophylline, 7-(4-(4-(p-chlorophenyl)-1-piperazinyl)butyl)-, 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-(4-(4-(p-chlorophenyl)-1-piperazinyl)butyl)-, dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Theophylline, 7-(4-(4-(p-chlorophenyl)-1-piperazinyl)butyl)-, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.