8-Benzylthio-2-(N-formylpiperazino)-4-(1-oxidothiomorpholino)-pyrimido(5,4-d)pyrimidine
TL;DR: 8-Benzylthio-2-(N-formylpiperazino)-4-(1-oxidothiomorpholino)-pyrimido(5,4-d)pyrimidine (CAS 77777-16-3) is a chemical compound with molecular formula C22H25N7O2S2 and molecular weight 483.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[8-benzylsulfanyl-4-(1-oxo-1,4-thiazinan-4-yl)pyrimido[5,4-d]pyrimidin-2-yl]piperazine-1-carbaldehyde
Also Known As: 8-Benzylthio-2-(N-formylpiperazino)-4-(1-oxidothiomorpholino)-pyrimido(5,4-d)pyrimidine, 1-Piperazinecarboxaldehyde, 4-(8-((phenylmethyl)thio)-4-(4-thiomorpholinyl)pyrimido(5,4-d)pyrimidin-2-yl)-, S-oxide, 4-[8-(Benzylsulfanyl)-4-(1-oxo-1lambda~4~-thiomorpholin-4-yl)pyrimido[5,4-d]pyrimidin-2-yl]piperazine-1-carbaldehyde, 4-[8-benzylsulfanyl-4-(1-oxo-1,4-thiazinan-4-yl)pyrimido[5,4-d]pyrimidin-2-yl]piperazine-1-carbaldehyde, RefChem:233432
| Molecular Formula | C22H25N7O2S2 |
|---|---|
| Molecular Weight | 483.15 g/mol |
| LogP | 1.5592 |
| Topological Polar Surface Area | 95.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 483.15112 |
| Heavy Atoms | 33 |
| Complexity | 1146.1945 |
Chemical Identifiers
| CAS Number | 77777-16-3 |
|---|---|
| SMILES | C1CN(CCN1C=O)C2=NC3=C(C(=N2)N4CCS(=O)CC4)N=CN=C3SCC5=CC=CC=C5 |
Product Overview
8-Benzylthio-2-(N-formylpiperazino)-4-(1-oxidothiomorpholino)-pyrimido(5,4-d)pyrimidine (CAS 77777-16-3), with molecular formula C22H25N7O2S2 and molecular weight 483.15 g/mol. IUPAC: 4-[8-benzylsulfanyl-4-(1-oxo-1,4-thiazinan-4-yl)pyrimido[5,4-d]pyrimidin-2-yl]piperazine-1-carbaldehyde.
Chemical Property Profile of 8-Benzylthio-2-(N-formylpiperazino)-4-(1-oxidothiomorpholino)-pyrimido(5,4-d)pyrimidine
Property Insights of 8-Benzylthio-2-(N-formylpiperazino)-4-(1-oxidothiomorpholino)-pyrimido(5,4-d)pyrimidine
The XLogP value of 1.5592 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Benzylthio-2-(N-formylpiperazino)-4-(1-oxidothiomorpholino)-pyrimido(5,4-d)pyrimidine. The TPSA of 95.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-Benzylthio-2-(N-formylpiperazino)-4-(1-oxidothiomorpholino)-pyrimido(5,4-d)pyrimidine. Following Lipinski's Rule of Five, 8-Benzylthio-2-(N-formylpiperazino)-4-(1-oxidothiomorpholino)-pyrimido(5,4-d)pyrimidine has 0 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-Benzylthio-2-(N-formylpiperazino)-4-(1-oxidothiomorpholino)-pyrimido(5,4-d)pyrimidine?
The CAS number of 8-Benzylthio-2-(N-formylpiperazino)-4-(1-oxidothiomorpholino)-pyrimido(5,4-d)pyrimidine is 77777-16-3.
What is the molecular formula of 8-Benzylthio-2-(N-formylpiperazino)-4-(1-oxidothiomorpholino)-pyrimido(5,4-d)pyrimidine?
The molecular formula of 8-Benzylthio-2-(N-formylpiperazino)-4-(1-oxidothiomorpholino)-pyrimido(5,4-d)pyrimidine is C22H25N7O2S2.
What is the molecular weight of 8-Benzylthio-2-(N-formylpiperazino)-4-(1-oxidothiomorpholino)-pyrimido(5,4-d)pyrimidine?
The molecular weight of 8-Benzylthio-2-(N-formylpiperazino)-4-(1-oxidothiomorpholino)-pyrimido(5,4-d)pyrimidine is 483.15 g/mol.
Where can I buy 8-Benzylthio-2-(N-formylpiperazino)-4-(1-oxidothiomorpholino)-pyrimido(5,4-d)pyrimidine?
You can request a quote for 8-Benzylthio-2-(N-formylpiperazino)-4-(1-oxidothiomorpholino)-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-Benzylthio-2-(N-formylpiperazino)-4-(1-oxidothiomorpholino)-pyrimido(5,4-d)pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 8-Benzylthio-2-(N-formylpiperazino)-4-(1-oxidothiomorpholino)-pyrimido(5,4-d)pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.