pyrimido pyrimidine,8-( -2-4-,s-oxide
TL;DR: pyrimido pyrimidine,8-( -2-4-,s-oxide (CAS 77749-76-9) is a chemical compound with molecular formula C21H25N7OS2 and molecular weight 455.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(8-benzylsulfanyl-2-piperazin-1-ylpyrimido[5,4-d]pyrimidin-4-yl)-1,4-thiazinane 1-oxide
Also Known As: pyrimido pyrimidine,8-( -2-4-,s-oxide, 8-Benzylthio-4-(1-oxidothiomorpholino)-2-piperazino-pyrimido(5,4-d)pyrimidine, Pyrimido pyrimidine,8-( -2- -4- -,S-oxide, Pyrimido(5,4-d)pyrimidine, 8-((phenylmethyl)thio)-2-(1-piperazinyl)-4-(4-thiomorpholinyl)-, S-oxide, 4-(8-benzylsulfanyl-2-piperazin-1-ylpyrimido[5,4-d]pyrimidin-4-yl)-1,4-thiazinane 1-oxide
| Molecular Formula | C21H25N7OS2 |
|---|---|
| Molecular Weight | 455.16 g/mol |
| LogP | 1.6904 |
| Topological Polar Surface Area | 87.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 455.1562 |
| Heavy Atoms | 31 |
| Complexity | 1066.0162 |
Chemical Identifiers
| CAS Number | 77749-76-9 |
|---|---|
| SMILES | C1CN(CCN1)C2=NC3=C(C(=N2)N4CCS(=O)CC4)N=CN=C3SCC5=CC=CC=C5 |
Product Overview
pyrimido pyrimidine,8-( -2-4-,s-oxide (CAS 77749-76-9), with molecular formula C21H25N7OS2 and molecular weight 455.16 g/mol. IUPAC: 4-(8-benzylsulfanyl-2-piperazin-1-ylpyrimido[5,4-d]pyrimidin-4-yl)-1,4-thiazinane 1-oxide.
Chemical Property Profile of pyrimido pyrimidine,8-( -2-4-,s-oxide
Property Insights of pyrimido pyrimidine,8-( -2-4-,s-oxide
The XLogP value of 1.6904 suggests moderate lipophilicity, balancing water solubility and membrane permeability for pyrimido pyrimidine,8-( -2-4-,s-oxide. The TPSA of 87.14 Ų falls within the moderate polarity range, balancing permeability and solubility for pyrimido pyrimidine,8-( -2-4-,s-oxide. Following Lipinski's Rule of Five, pyrimido pyrimidine,8-( -2-4-,s-oxide 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 pyrimido pyrimidine,8-( -2-4-,s-oxide?
The CAS number of pyrimido pyrimidine,8-( -2-4-,s-oxide is 77749-76-9.
What is the molecular formula of pyrimido pyrimidine,8-( -2-4-,s-oxide?
The molecular formula of pyrimido pyrimidine,8-( -2-4-,s-oxide is C21H25N7OS2.
What is the molecular weight of pyrimido pyrimidine,8-( -2-4-,s-oxide?
The molecular weight of pyrimido pyrimidine,8-( -2-4-,s-oxide is 455.16 g/mol.
Where can I buy pyrimido pyrimidine,8-( -2-4-,s-oxide?
You can request a quote for pyrimido pyrimidine,8-( -2-4-,s-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for pyrimido pyrimidine,8-( -2-4-,s-oxide?
Yes, KEHONG BIO provides custom synthesis services for pyrimido pyrimidine,8-( -2-4-,s-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.