Theobromine, 1-(4-(4-(3,4-dichlorophenyl)-1-piperazinyl)butyl)-, dihydrochloride
TL;DR: Theobromine, 1-(4-(4-(3,4-dichlorophenyl)-1-piperazinyl)butyl)-, dihydrochloride (CAS 87798-91-2) is a chemical compound with molecular formula C21H28Cl4N6O2 and molecular weight 536.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[4-(3,4-dichlorophenyl)piperazin-1-yl]butyl]-3,7-dimethylpurine-2,6-dione;dihydrochloride
Also Known As: 1-(4-(4- theobrominedihydrochloride, Theobromine, 1-(4-(4-(3,4-dichlorophenyl)-1-piperazinyl)butyl)-, dihydrochloride, 1-(4-(4-(3,4-Dichlorophenyl)-piperazinyl)butyl)theobromine dihydrochloride, 1-(4-(4-(3,4-Dichlorophenyl)-piperazinyl-(1))-n-butyl)-theobromin dihydrochlorid [German], 1-(4-(4-(3,4-Dichlorophenyl)-piperazinyl-(1))-n-butyl)-theobromin dihydrochlorid
| Molecular Formula | C21H28Cl4N6O2 |
|---|---|
| Molecular Weight | 536.10 g/mol |
| LogP | 3.1865 |
| Topological Polar Surface Area | 68.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 536.1028 |
| Heavy Atoms | 33 |
| Complexity | 1213.9109 |
Chemical Identifiers
| CAS Number | 87798-91-2 |
|---|---|
| SMILES | CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCN3CCN(CC3)C4=CC(=C(C=C4)Cl)Cl.Cl.Cl |
Product Overview
Theobromine, 1-(4-(4-(3,4-dichlorophenyl)-1-piperazinyl)butyl)-, dihydrochloride (CAS 87798-91-2), with molecular formula C21H28Cl4N6O2 and molecular weight 536.10 g/mol. IUPAC: 1-[4-[4-(3,4-dichlorophenyl)piperazin-1-yl]butyl]-3,7-dimethylpurine-2,6-dione;dihydrochloride.
Chemical Property Profile of Theobromine, 1-(4-(4-(3,4-dichlorophenyl)-1-piperazinyl)butyl)-, dihydrochloride
Property Insights of Theobromine, 1-(4-(4-(3,4-dichlorophenyl)-1-piperazinyl)butyl)-, dihydrochloride
The XLogP value of 3.1865 indicates that Theobromine, 1-(4-(4-(3,4-dichlorophenyl)-1-piperazinyl)butyl)-, dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Theobromine, 1-(4-(4-(3,4-dichlorophenyl)-1-piperazinyl)butyl)-, dihydrochloride. Following Lipinski's Rule of Five, Theobromine, 1-(4-(4-(3,4-dichlorophenyl)-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 Theobromine, 1-(4-(4-(3,4-dichlorophenyl)-1-piperazinyl)butyl)-, dihydrochloride?
The CAS number of Theobromine, 1-(4-(4-(3,4-dichlorophenyl)-1-piperazinyl)butyl)-, dihydrochloride is 87798-91-2.
What is the molecular formula of Theobromine, 1-(4-(4-(3,4-dichlorophenyl)-1-piperazinyl)butyl)-, dihydrochloride?
The molecular formula of Theobromine, 1-(4-(4-(3,4-dichlorophenyl)-1-piperazinyl)butyl)-, dihydrochloride is C21H28Cl4N6O2.
What is the molecular weight of Theobromine, 1-(4-(4-(3,4-dichlorophenyl)-1-piperazinyl)butyl)-, dihydrochloride?
The molecular weight of Theobromine, 1-(4-(4-(3,4-dichlorophenyl)-1-piperazinyl)butyl)-, dihydrochloride is 536.10 g/mol.
Where can I buy Theobromine, 1-(4-(4-(3,4-dichlorophenyl)-1-piperazinyl)butyl)-, dihydrochloride?
You can request a quote for Theobromine, 1-(4-(4-(3,4-dichlorophenyl)-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 Theobromine, 1-(4-(4-(3,4-dichlorophenyl)-1-piperazinyl)butyl)-, dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Theobromine, 1-(4-(4-(3,4-dichlorophenyl)-1-piperazinyl)butyl)-, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.