8-(4-(3-chlorophenyl)piperazin-1-yl)-3-methyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione
TL;DR: 8-(4-(3-chlorophenyl)piperazin-1-yl)-3-methyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione (CAS 442864-44-0) is a chemical compound with molecular formula C25H27ClN6O2 and molecular weight 478.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-7-(3-phenylpropyl)purine-2,6-dione
Also Known As: 8-(4-(3-chlorophenyl)piperazin-1-yl)-3-methyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione, 8-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-7-(3-phenylpropyl)purine-2,6-dione, 8-[4-(3-CHLOROPHENYL)-1-PIPERAZINYL]-3-METHYL-7-(3-PHENYLPROPYL)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE, 8-[4-(3-chlorophenyl)piperazin-1-yl]-6-hydroxy-3-methyl-7-(3-phenylpropyl)-3,7-dihydro-2H-purin-2-one, 8-[4-(3-chlorophenyl)piperazinyl]-3-methyl-7-(3-phenylpropyl)-1,3,7-trihydropu rine-2,6-dione
| Molecular Formula | C25H27ClN6O2 |
|---|---|
| Molecular Weight | 478.19 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 73.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 478.18842 |
| Heavy Atoms | 34 |
| Complexity | 726.0 |
Chemical Identifiers
| CAS Number | 442864-44-0 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)C4=CC(=CC=C4)Cl)CCCC5=CC=CC=C5 |
| InChIKey | LTFOICURDXVTEE-UHFFFAOYSA-N |
Product Overview
8-(4-(3-chlorophenyl)piperazin-1-yl)-3-methyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione (CAS 442864-44-0), with molecular formula C25H27ClN6O2 and molecular weight 478.19 g/mol. IUPAC: 8-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-7-(3-phenylpropyl)purine-2,6-dione.
Chemical Property Profile of 8-(4-(3-chlorophenyl)piperazin-1-yl)-3-methyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione
Property Insights of 8-(4-(3-chlorophenyl)piperazin-1-yl)-3-methyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 4.3 indicates that 8-(4-(3-chlorophenyl)piperazin-1-yl)-3-methyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(4-(3-chlorophenyl)piperazin-1-yl)-3-methyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 8-(4-(3-chlorophenyl)piperazin-1-yl)-3-methyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione has 1 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 8-(4-(3-chlorophenyl)piperazin-1-yl)-3-methyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione?
The CAS number of 8-(4-(3-chlorophenyl)piperazin-1-yl)-3-methyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione is 442864-44-0.
What is the molecular formula of 8-(4-(3-chlorophenyl)piperazin-1-yl)-3-methyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 8-(4-(3-chlorophenyl)piperazin-1-yl)-3-methyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione is C25H27ClN6O2.
What is the molecular weight of 8-(4-(3-chlorophenyl)piperazin-1-yl)-3-methyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 8-(4-(3-chlorophenyl)piperazin-1-yl)-3-methyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione is 478.19 g/mol.
Where can I buy 8-(4-(3-chlorophenyl)piperazin-1-yl)-3-methyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 8-(4-(3-chlorophenyl)piperazin-1-yl)-3-methyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-(4-(3-chlorophenyl)piperazin-1-yl)-3-methyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(4-(3-chlorophenyl)piperazin-1-yl)-3-methyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.