Theobromine, 1-(3-(4-(o-chlorophenyl)-1-piperazinyl)propyl)-, dihydrochloride
TL;DR: Theobromine, 1-(3-(4-(o-chlorophenyl)-1-piperazinyl)propyl)-, dihydrochloride (CAS 87798-89-8) is a chemical compound with molecular formula C20H27Cl3N6O2 and molecular weight 488.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-3,7-dimethylpurine-2,6-dione;dihydrochloride
Also Known As: 1-(3-(4- theobrominedihydrochloride, Theobromine, 1-(3-(4-(o-chlorophenyl)-1-piperazinyl)propyl)-, dihydrochloride, 1-(3-(4-(o-Chlorophenyl)-1-piperazinyl)propyl)theobromine dihydrochloride, 1-(3-(4-(o-Chlorophenyl)piperazinyl-(1))-n-propyl)-theobromin dihydrochlorid [German], 1-(3-(4-(o-Chlorophenyl)piperazinyl-(1))-n-propyl)-theobromin dihydrochlorid
| Molecular Formula | C20H27Cl3N6O2 |
|---|---|
| Molecular Weight | 488.13 g/mol |
| LogP | 2.143 |
| Topological Polar Surface Area | 68.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 488.1261 |
| Heavy Atoms | 31 |
| Complexity | 1148.0032 |
Chemical Identifiers
| CAS Number | 87798-89-8 |
|---|---|
| SMILES | CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCN3CCN(CC3)C4=CC=CC=C4Cl.Cl.Cl |
Product Overview
Theobromine, 1-(3-(4-(o-chlorophenyl)-1-piperazinyl)propyl)-, dihydrochloride (CAS 87798-89-8), with molecular formula C20H27Cl3N6O2 and molecular weight 488.13 g/mol. IUPAC: 1-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-3,7-dimethylpurine-2,6-dione;dihydrochloride.
Chemical Property Profile of Theobromine, 1-(3-(4-(o-chlorophenyl)-1-piperazinyl)propyl)-, dihydrochloride
Property Insights of Theobromine, 1-(3-(4-(o-chlorophenyl)-1-piperazinyl)propyl)-, dihydrochloride
The XLogP value of 2.143 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Theobromine, 1-(3-(4-(o-chlorophenyl)-1-piperazinyl)propyl)-, dihydrochloride. The TPSA of 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Theobromine, 1-(3-(4-(o-chlorophenyl)-1-piperazinyl)propyl)-, dihydrochloride. Following Lipinski's Rule of Five, Theobromine, 1-(3-(4-(o-chlorophenyl)-1-piperazinyl)propyl)-, dihydrochloride has 0 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 Theobromine, 1-(3-(4-(o-chlorophenyl)-1-piperazinyl)propyl)-, dihydrochloride?
The CAS number of Theobromine, 1-(3-(4-(o-chlorophenyl)-1-piperazinyl)propyl)-, dihydrochloride is 87798-89-8.
What is the molecular formula of Theobromine, 1-(3-(4-(o-chlorophenyl)-1-piperazinyl)propyl)-, dihydrochloride?
The molecular formula of Theobromine, 1-(3-(4-(o-chlorophenyl)-1-piperazinyl)propyl)-, dihydrochloride is C20H27Cl3N6O2.
What is the molecular weight of Theobromine, 1-(3-(4-(o-chlorophenyl)-1-piperazinyl)propyl)-, dihydrochloride?
The molecular weight of Theobromine, 1-(3-(4-(o-chlorophenyl)-1-piperazinyl)propyl)-, dihydrochloride is 488.13 g/mol.
Where can I buy Theobromine, 1-(3-(4-(o-chlorophenyl)-1-piperazinyl)propyl)-, dihydrochloride?
You can request a quote for Theobromine, 1-(3-(4-(o-chlorophenyl)-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 Theobromine, 1-(3-(4-(o-chlorophenyl)-1-piperazinyl)propyl)-, dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Theobromine, 1-(3-(4-(o-chlorophenyl)-1-piperazinyl)propyl)-, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.