8-(2-Diethylaminoethyl-thio)-4-(1-oxidothiomorpholino)-2-piperazino-pyrimido(5,4-d)pyrimidine
TL;DR: 8-(2-Diethylaminoethyl-thio)-4-(1-oxidothiomorpholino)-2-piperazino-pyrimido(5,4-d)pyrimidine (CAS 77776-86-4) is a chemical compound with molecular formula C20H32N8OS2 and molecular weight 464.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethyl-2-[4-(1-oxo-1,4-thiazinan-4-yl)-2-piperazin-1-ylpyrimido[5,4-d]pyrimidin-8-yl]sulfanylethanamine
Also Known As: 8-(2-Diethylaminoethyl-thio)-4-(1-oxidothiomorpholino)-2-piperazino-pyrimido(5,4-d)pyrimidine, Ethanamine, N,N-diethyl-2-((6-(1-piperazinyl)-8-(4-thiomorpholinyl)pyrimido(5,4-d)pyrimidin-4-yl)thio)-, S-oxide, 4-[8-{[2-(Diethylamino)ethyl]sulfanyl}-2-(piperazin-1-yl)pyrimido[5,4-d]pyrimidin-4-yl]-1lambda~4~-thiomorpholin-1-one, N,N-diethyl-2-[4-(1-oxo-1,4-thiazinan-4-yl)-2-piperazin-1-ylpyrimido[5,4-d]pyrimidin-8-yl]sulfanylethanamine, RefChem:339862
| Molecular Formula | C20H32N8OS2 |
|---|---|
| Molecular Weight | 464.21 g/mol |
| LogP | 0.832 |
| Topological Polar Surface Area | 90.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 464.21405 |
| Heavy Atoms | 31 |
| Complexity | 894.12396 |
Chemical Identifiers
| CAS Number | 77776-86-4 |
|---|---|
| SMILES | CCN(CC)CCSC1=NC=NC2=C1N=C(N=C2N3CCS(=O)CC3)N4CCNCC4 |
Product Overview
8-(2-Diethylaminoethyl-thio)-4-(1-oxidothiomorpholino)-2-piperazino-pyrimido(5,4-d)pyrimidine (CAS 77776-86-4), with molecular formula C20H32N8OS2 and molecular weight 464.21 g/mol. IUPAC: N,N-diethyl-2-[4-(1-oxo-1,4-thiazinan-4-yl)-2-piperazin-1-ylpyrimido[5,4-d]pyrimidin-8-yl]sulfanylethanamine.
Chemical Property Profile of 8-(2-Diethylaminoethyl-thio)-4-(1-oxidothiomorpholino)-2-piperazino-pyrimido(5,4-d)pyrimidine
Property Insights of 8-(2-Diethylaminoethyl-thio)-4-(1-oxidothiomorpholino)-2-piperazino-pyrimido(5,4-d)pyrimidine
The XLogP value of 0.832 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(2-Diethylaminoethyl-thio)-4-(1-oxidothiomorpholino)-2-piperazino-pyrimido(5,4-d)pyrimidine. The TPSA of 90.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(2-Diethylaminoethyl-thio)-4-(1-oxidothiomorpholino)-2-piperazino-pyrimido(5,4-d)pyrimidine. Following Lipinski's Rule of Five, 8-(2-Diethylaminoethyl-thio)-4-(1-oxidothiomorpholino)-2-piperazino-pyrimido(5,4-d)pyrimidine has 1 hydrogen bond donor(s) and 10 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-Diethylaminoethyl-thio)-4-(1-oxidothiomorpholino)-2-piperazino-pyrimido(5,4-d)pyrimidine?
The CAS number of 8-(2-Diethylaminoethyl-thio)-4-(1-oxidothiomorpholino)-2-piperazino-pyrimido(5,4-d)pyrimidine is 77776-86-4.
What is the molecular formula of 8-(2-Diethylaminoethyl-thio)-4-(1-oxidothiomorpholino)-2-piperazino-pyrimido(5,4-d)pyrimidine?
The molecular formula of 8-(2-Diethylaminoethyl-thio)-4-(1-oxidothiomorpholino)-2-piperazino-pyrimido(5,4-d)pyrimidine is C20H32N8OS2.
What is the molecular weight of 8-(2-Diethylaminoethyl-thio)-4-(1-oxidothiomorpholino)-2-piperazino-pyrimido(5,4-d)pyrimidine?
The molecular weight of 8-(2-Diethylaminoethyl-thio)-4-(1-oxidothiomorpholino)-2-piperazino-pyrimido(5,4-d)pyrimidine is 464.21 g/mol.
Where can I buy 8-(2-Diethylaminoethyl-thio)-4-(1-oxidothiomorpholino)-2-piperazino-pyrimido(5,4-d)pyrimidine?
You can request a quote for 8-(2-Diethylaminoethyl-thio)-4-(1-oxidothiomorpholino)-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-Diethylaminoethyl-thio)-4-(1-oxidothiomorpholino)-2-piperazino-pyrimido(5,4-d)pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 8-(2-Diethylaminoethyl-thio)-4-(1-oxidothiomorpholino)-2-piperazino-pyrimido(5,4-d)pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.