7-((4-(3-chlorophenyl)piperazin-1-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 7-((4-(3-chlorophenyl)piperazin-1-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 577694-42-9) is a chemical compound with molecular formula C18H21ClN6O2 and molecular weight 388.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione
Also Known As: 7-((4-(3-chlorophenyl)piperazin-1-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, F1468-0056, 7-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione, 7-((4-(3-CL-PH)-1-PIPERAZINYL)ME)-1,3-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE, 7-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-1,3-dimethyl-purine-2,6-dione
| Molecular Formula | C18H21ClN6O2 |
|---|---|
| Molecular Weight | 388.14 g/mol |
| LogP | 0.8668 |
| Topological Polar Surface Area | 68.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 388.14145 |
| Heavy Atoms | 27 |
| Complexity | 1107.2178 |
Chemical Identifiers
| CAS Number | 577694-42-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CN3CCN(CC3)C4=CC(=CC=C4)Cl |
Product Overview
7-((4-(3-chlorophenyl)piperazin-1-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 577694-42-9), with molecular formula C18H21ClN6O2 and molecular weight 388.14 g/mol. IUPAC: 7-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 7-((4-(3-chlorophenyl)piperazin-1-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 7-((4-(3-chlorophenyl)piperazin-1-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 0.8668 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-((4-(3-chlorophenyl)piperazin-1-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione. The TPSA of 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-((4-(3-chlorophenyl)piperazin-1-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 7-((4-(3-chlorophenyl)piperazin-1-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione 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 7-((4-(3-chlorophenyl)piperazin-1-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 7-((4-(3-chlorophenyl)piperazin-1-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is 577694-42-9.
What is the molecular formula of 7-((4-(3-chlorophenyl)piperazin-1-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 7-((4-(3-chlorophenyl)piperazin-1-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is C18H21ClN6O2.
What is the molecular weight of 7-((4-(3-chlorophenyl)piperazin-1-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 7-((4-(3-chlorophenyl)piperazin-1-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is 388.14 g/mol.
Where can I buy 7-((4-(3-chlorophenyl)piperazin-1-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 7-((4-(3-chlorophenyl)piperazin-1-yl)methyl)-1,3-dimethyl-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 7-((4-(3-chlorophenyl)piperazin-1-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-((4-(3-chlorophenyl)piperazin-1-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.