8-Benzyloxy-4-(1-oxido-thiomorpholino)-2-piperazino-pyrimido(5,4-d)pyrimidine
TL;DR: 8-Benzyloxy-4-(1-oxido-thiomorpholino)-2-piperazino-pyrimido(5,4-d)pyrimidine (CAS 78535-05-4) is a chemical compound with molecular formula C21H25N7O2S and molecular weight 439.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(8-phenylmethoxy-2-piperazin-1-ylpyrimido[5,4-d]pyrimidin-4-yl)-1,4-thiazinane 1-oxide
Also Known As: 8-Benzyloxy-4-(1-oxido-thiomorpholino)-2-piperazino-pyrimido(5,4-d)pyrimidine, 8-(Phenylmethoxy)-2-(1-piperazinyl)-4-(4-thiomorpholinyl)pyrimido(5,4-d)pyrimidine S-oxide, Pyrimido(5,4-d)pyrimidine, 8-(phenylmethoxy)-2-(1-piperazinyl)-4-(4-thiomorpholinyl)-, S-oxide, 4-(8-phenylmethoxy-2-piperazin-1-ylpyrimido[5,4-d]pyrimidin-4-yl)-1,4-thiazinane 1-oxide, 8-Benzyloxy-4-(1-oxido-thiomorpholino)-2-piperazino-pyrimido-[5,4-d]-pyrimidine
| Molecular Formula | C21H25N7O2S |
|---|---|
| Molecular Weight | 439.18 g/mol |
| LogP | 0.9771 |
| Topological Polar Surface Area | 96.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 439.17905 |
| Heavy Atoms | 31 |
| Complexity | 1066.0162 |
Chemical Identifiers
| CAS Number | 78535-05-4 |
|---|---|
| SMILES | C1CN(CCN1)C2=NC3=C(C(=N2)N4CCS(=O)CC4)N=CN=C3OCC5=CC=CC=C5 |
Product Overview
8-Benzyloxy-4-(1-oxido-thiomorpholino)-2-piperazino-pyrimido(5,4-d)pyrimidine (CAS 78535-05-4), with molecular formula C21H25N7O2S and molecular weight 439.18 g/mol. IUPAC: 4-(8-phenylmethoxy-2-piperazin-1-ylpyrimido[5,4-d]pyrimidin-4-yl)-1,4-thiazinane 1-oxide.
Chemical Property Profile of 8-Benzyloxy-4-(1-oxido-thiomorpholino)-2-piperazino-pyrimido(5,4-d)pyrimidine
Property Insights of 8-Benzyloxy-4-(1-oxido-thiomorpholino)-2-piperazino-pyrimido(5,4-d)pyrimidine
The XLogP value of 0.9771 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Benzyloxy-4-(1-oxido-thiomorpholino)-2-piperazino-pyrimido(5,4-d)pyrimidine. The TPSA of 96.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-Benzyloxy-4-(1-oxido-thiomorpholino)-2-piperazino-pyrimido(5,4-d)pyrimidine. Following Lipinski's Rule of Five, 8-Benzyloxy-4-(1-oxido-thiomorpholino)-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-Benzyloxy-4-(1-oxido-thiomorpholino)-2-piperazino-pyrimido(5,4-d)pyrimidine?
The CAS number of 8-Benzyloxy-4-(1-oxido-thiomorpholino)-2-piperazino-pyrimido(5,4-d)pyrimidine is 78535-05-4.
What is the molecular formula of 8-Benzyloxy-4-(1-oxido-thiomorpholino)-2-piperazino-pyrimido(5,4-d)pyrimidine?
The molecular formula of 8-Benzyloxy-4-(1-oxido-thiomorpholino)-2-piperazino-pyrimido(5,4-d)pyrimidine is C21H25N7O2S.
What is the molecular weight of 8-Benzyloxy-4-(1-oxido-thiomorpholino)-2-piperazino-pyrimido(5,4-d)pyrimidine?
The molecular weight of 8-Benzyloxy-4-(1-oxido-thiomorpholino)-2-piperazino-pyrimido(5,4-d)pyrimidine is 439.18 g/mol.
Where can I buy 8-Benzyloxy-4-(1-oxido-thiomorpholino)-2-piperazino-pyrimido(5,4-d)pyrimidine?
You can request a quote for 8-Benzyloxy-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-Benzyloxy-4-(1-oxido-thiomorpholino)-2-piperazino-pyrimido(5,4-d)pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 8-Benzyloxy-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.