8-(2,4-Dichlorobenzylthio)-4-morpholino-2-piperazino-pyrimido(5,4-d)pyrimidine
TL;DR: 8-(2,4-Dichlorobenzylthio)-4-morpholino-2-piperazino-pyrimido(5,4-d)pyrimidine (CAS 77776-93-3) is a chemical compound with molecular formula C21H23Cl2N7OS and molecular weight 491.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[8-[(2,4-dichlorophenyl)methylsulfanyl]-2-piperazin-1-ylpyrimido[5,4-d]pyrimidin-4-yl]morpholine
Also Known As: 8-(2,4-Dichlorobenzylthio)-4-morpholino-2-piperazino-pyrimido(5,4-d)pyrimidine, Pyrimido(5,4-d)pyrimidine, 8-(((2,4-dichlorophenyl)methyl)thio)-4-(4-morpholinyl)-2-(1-piperazinyl)-, 4-[8-[(2,4-dichlorophenyl)methylsulfanyl]-2-piperazin-1-ylpyrimido[5,4-d]pyrimidin-4-yl]morpholine, 8-{[(2,4-Dichlorophenyl)methyl]sulfanyl}-4-(morpholin-4-yl)-2-(piperazin-1-yl)pyrimido[5,4-d]pyrimidine, RefChem:377786
| Molecular Formula | C21H23Cl2N7OS |
|---|---|
| Molecular Weight | 491.11 g/mol |
| LogP | 3.2651 |
| Topological Polar Surface Area | 79.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 491.10617 |
| Heavy Atoms | 32 |
| Complexity | 1106.9435 |
Chemical Identifiers
| CAS Number | 77776-93-3 |
|---|---|
| SMILES | C1CN(CCN1)C2=NC3=C(C(=N2)N4CCOCC4)N=CN=C3SCC5=C(C=C(C=C5)Cl)Cl |
Product Overview
8-(2,4-Dichlorobenzylthio)-4-morpholino-2-piperazino-pyrimido(5,4-d)pyrimidine (CAS 77776-93-3), with molecular formula C21H23Cl2N7OS and molecular weight 491.11 g/mol. IUPAC: 4-[8-[(2,4-dichlorophenyl)methylsulfanyl]-2-piperazin-1-ylpyrimido[5,4-d]pyrimidin-4-yl]morpholine.
Chemical Property Profile of 8-(2,4-Dichlorobenzylthio)-4-morpholino-2-piperazino-pyrimido(5,4-d)pyrimidine
Property Insights of 8-(2,4-Dichlorobenzylthio)-4-morpholino-2-piperazino-pyrimido(5,4-d)pyrimidine
The XLogP value of 3.2651 indicates that 8-(2,4-Dichlorobenzylthio)-4-morpholino-2-piperazino-pyrimido(5,4-d)pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(2,4-Dichlorobenzylthio)-4-morpholino-2-piperazino-pyrimido(5,4-d)pyrimidine. Following Lipinski's Rule of Five, 8-(2,4-Dichlorobenzylthio)-4-morpholino-2-piperazino-pyrimido(5,4-d)pyrimidine has 1 hydrogen bond donor(s) and 9 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-(2,4-Dichlorobenzylthio)-4-morpholino-2-piperazino-pyrimido(5,4-d)pyrimidine?
The CAS number of 8-(2,4-Dichlorobenzylthio)-4-morpholino-2-piperazino-pyrimido(5,4-d)pyrimidine is 77776-93-3.
What is the molecular formula of 8-(2,4-Dichlorobenzylthio)-4-morpholino-2-piperazino-pyrimido(5,4-d)pyrimidine?
The molecular formula of 8-(2,4-Dichlorobenzylthio)-4-morpholino-2-piperazino-pyrimido(5,4-d)pyrimidine is C21H23Cl2N7OS.
What is the molecular weight of 8-(2,4-Dichlorobenzylthio)-4-morpholino-2-piperazino-pyrimido(5,4-d)pyrimidine?
The molecular weight of 8-(2,4-Dichlorobenzylthio)-4-morpholino-2-piperazino-pyrimido(5,4-d)pyrimidine is 491.11 g/mol.
Where can I buy 8-(2,4-Dichlorobenzylthio)-4-morpholino-2-piperazino-pyrimido(5,4-d)pyrimidine?
You can request a quote for 8-(2,4-Dichlorobenzylthio)-4-morpholino-2-piperazino-pyrimido(5,4-d)pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-(2,4-Dichlorobenzylthio)-4-morpholino-2-piperazino-pyrimido(5,4-d)pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 8-(2,4-Dichlorobenzylthio)-4-morpholino-2-piperazino-pyrimido(5,4-d)pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.