Pyrimido(4,5-d)pyrimidin-4(1H)-one, 2-((3-(4-(3-chlorophenyl)-1-piperazinyl)propyl)thio)-7-methyl-1-phenyl-
TL;DR: Pyrimido(4,5-d)pyrimidin-4(1H)-one, 2-((3-(4-(3-chlorophenyl)-1-piperazinyl)propyl)thio)-7-methyl-1-phenyl- (CAS 142287-38-5) is a chemical compound with molecular formula C26H27ClN6OS and molecular weight 506.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propylsulfanyl]-7-methyl-1-phenylpyrimido[4,5-d]pyrimidin-4-one
Also Known As: Pyrimido(4,5-d)pyrimidin-4(1H)-one, 2-((3-(4-(3-chlorophenyl)-1-piperazinyl)propyl)thio)-7-methyl-1-phenyl-, 2-({3-[4-(3-Chlorophenyl)piperazin-1-yl]propyl}sulfanyl)-7-methyl-1-phenylpyrimido[4,5-d]pyrimidin-4(1H)-one, 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propylsulfanyl]-7-methyl-1-phenylpyrimido[4,5-d]pyrimidin-4-one, RefChem:377762
| Molecular Formula | C26H27ClN6OS |
|---|---|
| Molecular Weight | 506.17 g/mol |
| LogP | 4.44192 |
| Topological Polar Surface Area | 67.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 506.16556 |
| Heavy Atoms | 35 |
| Complexity | 1371.6407 |
Chemical Identifiers
| CAS Number | 142287-38-5 |
|---|---|
| SMILES | CC1=NC=C2C(=N1)N(C(=NC2=O)SCCCN3CCN(CC3)C4=CC(=CC=C4)Cl)C5=CC=CC=C5 |
Product Overview
Pyrimido(4,5-d)pyrimidin-4(1H)-one, 2-((3-(4-(3-chlorophenyl)-1-piperazinyl)propyl)thio)-7-methyl-1-phenyl- (CAS 142287-38-5), with molecular formula C26H27ClN6OS and molecular weight 506.17 g/mol. IUPAC: 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propylsulfanyl]-7-methyl-1-phenylpyrimido[4,5-d]pyrimidin-4-one.
Chemical Property Profile of Pyrimido(4,5-d)pyrimidin-4(1H)-one, 2-((3-(4-(3-chlorophenyl)-1-piperazinyl)propyl)thio)-7-methyl-1-phenyl-
Property Insights of Pyrimido(4,5-d)pyrimidin-4(1H)-one, 2-((3-(4-(3-chlorophenyl)-1-piperazinyl)propyl)thio)-7-methyl-1-phenyl-
The XLogP value of 4.44192 indicates that Pyrimido(4,5-d)pyrimidin-4(1H)-one, 2-((3-(4-(3-chlorophenyl)-1-piperazinyl)propyl)thio)-7-methyl-1-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.15 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrimido(4,5-d)pyrimidin-4(1H)-one, 2-((3-(4-(3-chlorophenyl)-1-piperazinyl)propyl)thio)-7-methyl-1-phenyl-. Following Lipinski's Rule of Five, Pyrimido(4,5-d)pyrimidin-4(1H)-one, 2-((3-(4-(3-chlorophenyl)-1-piperazinyl)propyl)thio)-7-methyl-1-phenyl- has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pyrimido(4,5-d)pyrimidin-4(1H)-one, 2-((3-(4-(3-chlorophenyl)-1-piperazinyl)propyl)thio)-7-methyl-1-phenyl-?
The CAS number of Pyrimido(4,5-d)pyrimidin-4(1H)-one, 2-((3-(4-(3-chlorophenyl)-1-piperazinyl)propyl)thio)-7-methyl-1-phenyl- is 142287-38-5.
What is the molecular formula of Pyrimido(4,5-d)pyrimidin-4(1H)-one, 2-((3-(4-(3-chlorophenyl)-1-piperazinyl)propyl)thio)-7-methyl-1-phenyl-?
The molecular formula of Pyrimido(4,5-d)pyrimidin-4(1H)-one, 2-((3-(4-(3-chlorophenyl)-1-piperazinyl)propyl)thio)-7-methyl-1-phenyl- is C26H27ClN6OS.
What is the molecular weight of Pyrimido(4,5-d)pyrimidin-4(1H)-one, 2-((3-(4-(3-chlorophenyl)-1-piperazinyl)propyl)thio)-7-methyl-1-phenyl-?
The molecular weight of Pyrimido(4,5-d)pyrimidin-4(1H)-one, 2-((3-(4-(3-chlorophenyl)-1-piperazinyl)propyl)thio)-7-methyl-1-phenyl- is 506.17 g/mol.
Where can I buy Pyrimido(4,5-d)pyrimidin-4(1H)-one, 2-((3-(4-(3-chlorophenyl)-1-piperazinyl)propyl)thio)-7-methyl-1-phenyl-?
You can request a quote for Pyrimido(4,5-d)pyrimidin-4(1H)-one, 2-((3-(4-(3-chlorophenyl)-1-piperazinyl)propyl)thio)-7-methyl-1-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrimido(4,5-d)pyrimidin-4(1H)-one, 2-((3-(4-(3-chlorophenyl)-1-piperazinyl)propyl)thio)-7-methyl-1-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for Pyrimido(4,5-d)pyrimidin-4(1H)-one, 2-((3-(4-(3-chlorophenyl)-1-piperazinyl)propyl)thio)-7-methyl-1-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.