Theobromine, 1-(4-(4-(o-methoxyphenyl)-1-piperazinyl)butyl)-, dihydrochloride
TL;DR: Theobromine, 1-(4-(4-(o-methoxyphenyl)-1-piperazinyl)butyl)-, dihydrochloride (CAS 87798-82-1) is a chemical compound with molecular formula C22H32Cl2N6O3 and molecular weight 498.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3,7-dimethylpurine-2,6-dione;dihydrochloride
Also Known As: Theobromine, 1-(4-(4-(o-methoxyphenyl)-1-piperazinyl)butyl)-, dihydrochloride, 1-(4-(4-(o-Methoxyphenyl)-1-piperazinyl)butyl)theobromine dihydrochloride, 1-(4-(4-(o-Methoxyphenyl)piperazinyl-(1))-n-butyl)-theobromin dihydrochlorid [German], 1-(4-(4-(o-Methoxyphenyl)piperazinyl-(1))-n-butyl)-theobromin dihydrochlorid, 1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-1-(4-(4-(2-methoxyphenyl)-1-piperazinyl)butyl)-,
| Molecular Formula | C22H32Cl2N6O3 |
|---|---|
| Molecular Weight | 498.19 g/mol |
| LogP | 1.8883 |
| Topological Polar Surface Area | 77.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 498.19128 |
| Heavy Atoms | 33 |
| Complexity | 1181.0684 |
Chemical Identifiers
| CAS Number | 87798-82-1 |
|---|---|
| SMILES | CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCN3CCN(CC3)C4=CC=CC=C4OC.Cl.Cl |
Product Overview
Theobromine, 1-(4-(4-(o-methoxyphenyl)-1-piperazinyl)butyl)-, dihydrochloride (CAS 87798-82-1), with molecular formula C22H32Cl2N6O3 and molecular weight 498.19 g/mol. IUPAC: 1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3,7-dimethylpurine-2,6-dione;dihydrochloride.
Chemical Property Profile of Theobromine, 1-(4-(4-(o-methoxyphenyl)-1-piperazinyl)butyl)-, dihydrochloride
Property Insights of Theobromine, 1-(4-(4-(o-methoxyphenyl)-1-piperazinyl)butyl)-, dihydrochloride
The XLogP value of 1.8883 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Theobromine, 1-(4-(4-(o-methoxyphenyl)-1-piperazinyl)butyl)-, dihydrochloride. The TPSA of 77.53 Ų falls within the moderate polarity range, balancing permeability and solubility for Theobromine, 1-(4-(4-(o-methoxyphenyl)-1-piperazinyl)butyl)-, dihydrochloride. Following Lipinski's Rule of Five, Theobromine, 1-(4-(4-(o-methoxyphenyl)-1-piperazinyl)butyl)-, dihydrochloride has 0 hydrogen bond donor(s) and 6 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-(4-(4-(o-methoxyphenyl)-1-piperazinyl)butyl)-, dihydrochloride?
The CAS number of Theobromine, 1-(4-(4-(o-methoxyphenyl)-1-piperazinyl)butyl)-, dihydrochloride is 87798-82-1.
What is the molecular formula of Theobromine, 1-(4-(4-(o-methoxyphenyl)-1-piperazinyl)butyl)-, dihydrochloride?
The molecular formula of Theobromine, 1-(4-(4-(o-methoxyphenyl)-1-piperazinyl)butyl)-, dihydrochloride is C22H32Cl2N6O3.
What is the molecular weight of Theobromine, 1-(4-(4-(o-methoxyphenyl)-1-piperazinyl)butyl)-, dihydrochloride?
The molecular weight of Theobromine, 1-(4-(4-(o-methoxyphenyl)-1-piperazinyl)butyl)-, dihydrochloride is 498.19 g/mol.
Where can I buy Theobromine, 1-(4-(4-(o-methoxyphenyl)-1-piperazinyl)butyl)-, dihydrochloride?
You can request a quote for Theobromine, 1-(4-(4-(o-methoxyphenyl)-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-(o-methoxyphenyl)-1-piperazinyl)butyl)-, dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Theobromine, 1-(4-(4-(o-methoxyphenyl)-1-piperazinyl)butyl)-, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.