8-(2-Hydroxyethyl-thio)-4-(1-oxido-thiomorpholino)-2-piperazino-pyrimido(5,4-d)pyrimidine
TL;DR: 8-(2-Hydroxyethyl-thio)-4-(1-oxido-thiomorpholino)-2-piperazino-pyrimido(5,4-d)pyrimidine (CAS 77776-87-5) is a chemical compound with molecular formula C16H23N7O2S2 and molecular weight 409.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(1-oxo-1,4-thiazinan-4-yl)-2-piperazin-1-ylpyrimido[5,4-d]pyrimidin-8-yl]sulfanylethanol
Also Known As: 8-(2-Hydroxyethyl-thio)-4-(1-oxido-thiomorpholino)-2-piperazino-pyrimido(5,4-d)pyrimidine, Ethanol, 2-((6-(1-piperazinyl)-8-(4-thiomorpholinyl)pyrimido(5,4-d)pyrimidin-4-yl)thio)-, S-oxide, 2-[4-(1-oxo-1,4-thiazinan-4-yl)-2-piperazin-1-ylpyrimido[5,4-d]pyrimidin-8-yl]sulfanylethanol, 4-{8-[(2-Hydroxyethyl)sulfanyl]-2-(piperazin-1-yl)pyrimido[5,4-d]pyrimidin-4-yl}-1lambda~4~-thiomorpholin-1-one, RefChem:340799
| Molecular Formula | C16H23N7O2S2 |
|---|---|
| Molecular Weight | 409.14 g/mol |
| LogP | -0.5175 |
| Topological Polar Surface Area | 107.37 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 409.13547 |
| Heavy Atoms | 27 |
| Complexity | 821.7661 |
Chemical Identifiers
| CAS Number | 77776-87-5 |
|---|---|
| SMILES | C1CN(CCN1)C2=NC3=C(C(=N2)N4CCS(=O)CC4)N=CN=C3SCCO |
Product Overview
8-(2-Hydroxyethyl-thio)-4-(1-oxido-thiomorpholino)-2-piperazino-pyrimido(5,4-d)pyrimidine (CAS 77776-87-5), with molecular formula C16H23N7O2S2 and molecular weight 409.14 g/mol. IUPAC: 2-[4-(1-oxo-1,4-thiazinan-4-yl)-2-piperazin-1-ylpyrimido[5,4-d]pyrimidin-8-yl]sulfanylethanol.
Chemical Property Profile of 8-(2-Hydroxyethyl-thio)-4-(1-oxido-thiomorpholino)-2-piperazino-pyrimido(5,4-d)pyrimidine
Property Insights of 8-(2-Hydroxyethyl-thio)-4-(1-oxido-thiomorpholino)-2-piperazino-pyrimido(5,4-d)pyrimidine
The XLogP value of -0.5175 indicates that 8-(2-Hydroxyethyl-thio)-4-(1-oxido-thiomorpholino)-2-piperazino-pyrimido(5,4-d)pyrimidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 107.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(2-Hydroxyethyl-thio)-4-(1-oxido-thiomorpholino)-2-piperazino-pyrimido(5,4-d)pyrimidine. Following Lipinski's Rule of Five, 8-(2-Hydroxyethyl-thio)-4-(1-oxido-thiomorpholino)-2-piperazino-pyrimido(5,4-d)pyrimidine has 2 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-Hydroxyethyl-thio)-4-(1-oxido-thiomorpholino)-2-piperazino-pyrimido(5,4-d)pyrimidine?
The CAS number of 8-(2-Hydroxyethyl-thio)-4-(1-oxido-thiomorpholino)-2-piperazino-pyrimido(5,4-d)pyrimidine is 77776-87-5.
What is the molecular formula of 8-(2-Hydroxyethyl-thio)-4-(1-oxido-thiomorpholino)-2-piperazino-pyrimido(5,4-d)pyrimidine?
The molecular formula of 8-(2-Hydroxyethyl-thio)-4-(1-oxido-thiomorpholino)-2-piperazino-pyrimido(5,4-d)pyrimidine is C16H23N7O2S2.
What is the molecular weight of 8-(2-Hydroxyethyl-thio)-4-(1-oxido-thiomorpholino)-2-piperazino-pyrimido(5,4-d)pyrimidine?
The molecular weight of 8-(2-Hydroxyethyl-thio)-4-(1-oxido-thiomorpholino)-2-piperazino-pyrimido(5,4-d)pyrimidine is 409.14 g/mol.
Where can I buy 8-(2-Hydroxyethyl-thio)-4-(1-oxido-thiomorpholino)-2-piperazino-pyrimido(5,4-d)pyrimidine?
You can request a quote for 8-(2-Hydroxyethyl-thio)-4-(1-oxido-thiomorpholino)-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-Hydroxyethyl-thio)-4-(1-oxido-thiomorpholino)-2-piperazino-pyrimido(5,4-d)pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 8-(2-Hydroxyethyl-thio)-4-(1-oxido-thiomorpholino)-2-piperazino-pyrimido(5,4-d)pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.