Theobromine, 1-(5-(4-(m-methylphenyl)-1-piperazinyl)pentyl)-, dihydrochloride
TL;DR: Theobromine, 1-(5-(4-(m-methylphenyl)-1-piperazinyl)pentyl)-, dihydrochloride (CAS 81996-02-3) is a chemical compound with molecular formula C23H34Cl2N6O2 and molecular weight 496.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-dimethyl-1-[5-[4-(3-methylphenyl)piperazin-1-yl]pentyl]purine-2,6-dione;dihydrochloride
Also Known As: 1-(5-(4-(m-Methylphenyl)-1-piperazinyl)pentyl)theobromine dihydrochloride, Theobromine, 1-(5-(4-(m-methylphenyl)-1-piperazinyl)pentyl)-, dihydrochloride, 1-(5-(4-(m-Methylphenyl)piperazinyl-(1))-n-pentyl)-theobromin dihydrochlorid [German], 1-(5-(4-(m-Methylphenyl)piperazinyl-(1))-n-pentyl)-theobromin dihydrochlorid, 1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-1-(5-(4-(3-methylphenyl)-1-piperazinyl)pentyl)-,
| Molecular Formula | C23H34Cl2N6O2 |
|---|---|
| Molecular Weight | 496.21 g/mol |
| LogP | 2.57822 |
| Topological Polar Surface Area | 68.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 496.21204 |
| Heavy Atoms | 33 |
| Complexity | 1177.8888 |
Chemical Identifiers
| CAS Number | 81996-02-3 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2CCN(CC2)CCCCCN3C(=O)C4=C(N=CN4C)N(C3=O)C.Cl.Cl |
Product Overview
Theobromine, 1-(5-(4-(m-methylphenyl)-1-piperazinyl)pentyl)-, dihydrochloride (CAS 81996-02-3), with molecular formula C23H34Cl2N6O2 and molecular weight 496.21 g/mol. IUPAC: 3,7-dimethyl-1-[5-[4-(3-methylphenyl)piperazin-1-yl]pentyl]purine-2,6-dione;dihydrochloride.
Chemical Property Profile of Theobromine, 1-(5-(4-(m-methylphenyl)-1-piperazinyl)pentyl)-, dihydrochloride
Property Insights of Theobromine, 1-(5-(4-(m-methylphenyl)-1-piperazinyl)pentyl)-, dihydrochloride
The XLogP value of 2.57822 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Theobromine, 1-(5-(4-(m-methylphenyl)-1-piperazinyl)pentyl)-, dihydrochloride. The TPSA of 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Theobromine, 1-(5-(4-(m-methylphenyl)-1-piperazinyl)pentyl)-, dihydrochloride. Following Lipinski's Rule of Five, Theobromine, 1-(5-(4-(m-methylphenyl)-1-piperazinyl)pentyl)-, 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-(5-(4-(m-methylphenyl)-1-piperazinyl)pentyl)-, dihydrochloride?
The CAS number of Theobromine, 1-(5-(4-(m-methylphenyl)-1-piperazinyl)pentyl)-, dihydrochloride is 81996-02-3.
What is the molecular formula of Theobromine, 1-(5-(4-(m-methylphenyl)-1-piperazinyl)pentyl)-, dihydrochloride?
The molecular formula of Theobromine, 1-(5-(4-(m-methylphenyl)-1-piperazinyl)pentyl)-, dihydrochloride is C23H34Cl2N6O2.
What is the molecular weight of Theobromine, 1-(5-(4-(m-methylphenyl)-1-piperazinyl)pentyl)-, dihydrochloride?
The molecular weight of Theobromine, 1-(5-(4-(m-methylphenyl)-1-piperazinyl)pentyl)-, dihydrochloride is 496.21 g/mol.
Where can I buy Theobromine, 1-(5-(4-(m-methylphenyl)-1-piperazinyl)pentyl)-, dihydrochloride?
You can request a quote for Theobromine, 1-(5-(4-(m-methylphenyl)-1-piperazinyl)pentyl)-, 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-(5-(4-(m-methylphenyl)-1-piperazinyl)pentyl)-, dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Theobromine, 1-(5-(4-(m-methylphenyl)-1-piperazinyl)pentyl)-, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.