Theobromine, 1-(3-(4-(3,4-dichlorophenyl)-1-piperazinyl)propyl)-
TL;DR: Theobromine, 1-(3-(4-(3,4-dichlorophenyl)-1-piperazinyl)propyl)- (CAS 81995-79-1) is a chemical compound with molecular formula C20H24Cl2N6O2 and molecular weight 450.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]propyl]-3,7-dimethylpurine-2,6-dione
Also Known As: 1-(3-(4-(3,4-Dichlorophenyl)-1-piperazinyl)propyl)theobromine, Theobromine, 1-(3-(4-(3,4-dichlorophenyl)-1-piperazinyl)propyl)-, 1-(3-(4-(3,4-Dichlorophenyl)-piperazinyl-(1))-n-propyl)theobromin, 1-(3-(4-(3,4-Dichlorophenyl)-piperazinyl-(1))-n-propyl)theobromin [German], 1-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]propyl]-3,7-dimethylpurine-2,6-dione
| Molecular Formula | C20H24Cl2N6O2 |
|---|---|
| Molecular Weight | 450.13 g/mol |
| LogP | 1.9528 |
| Topological Polar Surface Area | 68.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 450.1338 |
| Heavy Atoms | 30 |
| Complexity | 1190.4504 |
Chemical Identifiers
| CAS Number | 81995-79-1 |
|---|---|
| SMILES | CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCN3CCN(CC3)C4=CC(=C(C=C4)Cl)Cl |
Product Overview
Theobromine, 1-(3-(4-(3,4-dichlorophenyl)-1-piperazinyl)propyl)- (CAS 81995-79-1), with molecular formula C20H24Cl2N6O2 and molecular weight 450.13 g/mol. IUPAC: 1-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]propyl]-3,7-dimethylpurine-2,6-dione.
Chemical Property Profile of Theobromine, 1-(3-(4-(3,4-dichlorophenyl)-1-piperazinyl)propyl)-
Property Insights of Theobromine, 1-(3-(4-(3,4-dichlorophenyl)-1-piperazinyl)propyl)-
The XLogP value of 1.9528 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Theobromine, 1-(3-(4-(3,4-dichlorophenyl)-1-piperazinyl)propyl)-. The TPSA of 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Theobromine, 1-(3-(4-(3,4-dichlorophenyl)-1-piperazinyl)propyl)-. Following Lipinski's Rule of Five, Theobromine, 1-(3-(4-(3,4-dichlorophenyl)-1-piperazinyl)propyl)- 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-(3,4-dichlorophenyl)-1-piperazinyl)propyl)-?
The CAS number of Theobromine, 1-(3-(4-(3,4-dichlorophenyl)-1-piperazinyl)propyl)- is 81995-79-1.
What is the molecular formula of Theobromine, 1-(3-(4-(3,4-dichlorophenyl)-1-piperazinyl)propyl)-?
The molecular formula of Theobromine, 1-(3-(4-(3,4-dichlorophenyl)-1-piperazinyl)propyl)- is C20H24Cl2N6O2.
What is the molecular weight of Theobromine, 1-(3-(4-(3,4-dichlorophenyl)-1-piperazinyl)propyl)-?
The molecular weight of Theobromine, 1-(3-(4-(3,4-dichlorophenyl)-1-piperazinyl)propyl)- is 450.13 g/mol.
Where can I buy Theobromine, 1-(3-(4-(3,4-dichlorophenyl)-1-piperazinyl)propyl)-?
You can request a quote for Theobromine, 1-(3-(4-(3,4-dichlorophenyl)-1-piperazinyl)propyl)- 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-(3,4-dichlorophenyl)-1-piperazinyl)propyl)-?
Yes, KEHONG BIO provides custom synthesis services for Theobromine, 1-(3-(4-(3,4-dichlorophenyl)-1-piperazinyl)propyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.