Theobromine, 1-(2-(4-(2,3-dimethylphenyl)-1-piperazinyl)ethyl)-, dihydrochloride
TL;DR: Theobromine, 1-(2-(4-(2,3-dimethylphenyl)-1-piperazinyl)ethyl)-, dihydrochloride (CAS 87798-88-7) is a chemical compound with molecular formula C21H30Cl2N6O2 and molecular weight 468.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-3,7-dimethylpurine-2,6-dione;dihydrochloride
Also Known As: Theobromine, 1-(2-(4-(2,3-dimethylphenyl)-1-piperazinyl)ethyl)-, dihydrochloride, 1-(2-(4-(2,3-Dimethylphenyl)-1-piperazinyl)ethyl)theobromine dihydrochloride, 1-(2-(4-(2,3-Dimethylphenyl)-piperazinyl-(1))-ethyl)-theobromin dihydrochlorid [German], 1H-Purine-2,6-dione, 1-(2-(4-(2,3-xylyl)-1-piperazinyl)ethyl)-3,7-dihydro-3,7-dimethyl-, 2HCl, 1-(2-(4-(2,3-Dimethylphenyl)-piperazinyl-(1))-ethyl)-theobromin dihydrochlorid
| Molecular Formula | C21H30Cl2N6O2 |
|---|---|
| Molecular Weight | 468.18 g/mol |
| LogP | 1.71634 |
| Topological Polar Surface Area | 68.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 468.18073 |
| Heavy Atoms | 31 |
| Complexity | 1175.0522 |
Chemical Identifiers
| CAS Number | 87798-88-7 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)N2CCN(CC2)CCN3C(=O)C4=C(N=CN4C)N(C3=O)C)C.Cl.Cl |
Product Overview
Theobromine, 1-(2-(4-(2,3-dimethylphenyl)-1-piperazinyl)ethyl)-, dihydrochloride (CAS 87798-88-7), with molecular formula C21H30Cl2N6O2 and molecular weight 468.18 g/mol. IUPAC: 1-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-3,7-dimethylpurine-2,6-dione;dihydrochloride.
Chemical Property Profile of Theobromine, 1-(2-(4-(2,3-dimethylphenyl)-1-piperazinyl)ethyl)-, dihydrochloride
Property Insights of Theobromine, 1-(2-(4-(2,3-dimethylphenyl)-1-piperazinyl)ethyl)-, dihydrochloride
The XLogP value of 1.71634 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Theobromine, 1-(2-(4-(2,3-dimethylphenyl)-1-piperazinyl)ethyl)-, dihydrochloride. The TPSA of 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Theobromine, 1-(2-(4-(2,3-dimethylphenyl)-1-piperazinyl)ethyl)-, dihydrochloride. Following Lipinski's Rule of Five, Theobromine, 1-(2-(4-(2,3-dimethylphenyl)-1-piperazinyl)ethyl)-, 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-(2-(4-(2,3-dimethylphenyl)-1-piperazinyl)ethyl)-, dihydrochloride?
The CAS number of Theobromine, 1-(2-(4-(2,3-dimethylphenyl)-1-piperazinyl)ethyl)-, dihydrochloride is 87798-88-7.
What is the molecular formula of Theobromine, 1-(2-(4-(2,3-dimethylphenyl)-1-piperazinyl)ethyl)-, dihydrochloride?
The molecular formula of Theobromine, 1-(2-(4-(2,3-dimethylphenyl)-1-piperazinyl)ethyl)-, dihydrochloride is C21H30Cl2N6O2.
What is the molecular weight of Theobromine, 1-(2-(4-(2,3-dimethylphenyl)-1-piperazinyl)ethyl)-, dihydrochloride?
The molecular weight of Theobromine, 1-(2-(4-(2,3-dimethylphenyl)-1-piperazinyl)ethyl)-, dihydrochloride is 468.18 g/mol.
Where can I buy Theobromine, 1-(2-(4-(2,3-dimethylphenyl)-1-piperazinyl)ethyl)-, dihydrochloride?
You can request a quote for Theobromine, 1-(2-(4-(2,3-dimethylphenyl)-1-piperazinyl)ethyl)-, 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-(2-(4-(2,3-dimethylphenyl)-1-piperazinyl)ethyl)-, dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Theobromine, 1-(2-(4-(2,3-dimethylphenyl)-1-piperazinyl)ethyl)-, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.