8-Benzylamino-4-(1-oxido-thiomorpholino)-2-piperazino-pyrimido(5,4-d)pyrimidine
TL;DR: 8-Benzylamino-4-(1-oxido-thiomorpholino)-2-piperazino-pyrimido(5,4-d)pyrimidine (CAS 78552-37-1) is a chemical compound with molecular formula C21H26N8OS and molecular weight 438.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-4-(1-oxo-1,4-thiazinan-4-yl)-2-piperazin-1-ylpyrimido[5,4-d]pyrimidin-8-amine
Also Known As: 8-Benzylamino-4-(1-oxido-thiomorpholino)-2-piperazino-pyrimido(5,4-d)pyrimidine, Pyrimido(5,4-d)pyrimidin-4-amine, N-(phenylmethyl)-6-(1-piperazinyl)-8-(4-thiomorpholinyl)-, S-oxide, N-benzyl-4-(1-oxo-1,4-thiazinan-4-yl)-2-piperazin-1-ylpyrimido[5,4-d]pyrimidin-8-amine, 8-Benzylamino-4-(1-oxido-thiomorpholino)-2-piperazino-pyrimido-[5,4-d]-pyrimidine, 4-[8-(Benzylamino)-2-(piperazin-1-yl)pyrimido[5,4-d]pyrimidin-4-yl]-1lambda~4~-thiomorpholin-1-one
| Molecular Formula | C21H26N8OS |
|---|---|
| Molecular Weight | 438.20 g/mol |
| LogP | 1.0102 |
| Topological Polar Surface Area | 99.17 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 438.19504 |
| Heavy Atoms | 31 |
| Complexity | 1063.6677 |
Chemical Identifiers
| CAS Number | 78552-37-1 |
|---|---|
| SMILES | C1CN(CCN1)C2=NC3=C(C(=N2)N4CCS(=O)CC4)N=CN=C3NCC5=CC=CC=C5 |
Product Overview
8-Benzylamino-4-(1-oxido-thiomorpholino)-2-piperazino-pyrimido(5,4-d)pyrimidine (CAS 78552-37-1), with molecular formula C21H26N8OS and molecular weight 438.20 g/mol. IUPAC: N-benzyl-4-(1-oxo-1,4-thiazinan-4-yl)-2-piperazin-1-ylpyrimido[5,4-d]pyrimidin-8-amine.
Chemical Property Profile of 8-Benzylamino-4-(1-oxido-thiomorpholino)-2-piperazino-pyrimido(5,4-d)pyrimidine
Property Insights of 8-Benzylamino-4-(1-oxido-thiomorpholino)-2-piperazino-pyrimido(5,4-d)pyrimidine
The XLogP value of 1.0102 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Benzylamino-4-(1-oxido-thiomorpholino)-2-piperazino-pyrimido(5,4-d)pyrimidine. The TPSA of 99.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-Benzylamino-4-(1-oxido-thiomorpholino)-2-piperazino-pyrimido(5,4-d)pyrimidine. Following Lipinski's Rule of Five, 8-Benzylamino-4-(1-oxido-thiomorpholino)-2-piperazino-pyrimido(5,4-d)pyrimidine has 2 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-Benzylamino-4-(1-oxido-thiomorpholino)-2-piperazino-pyrimido(5,4-d)pyrimidine?
The CAS number of 8-Benzylamino-4-(1-oxido-thiomorpholino)-2-piperazino-pyrimido(5,4-d)pyrimidine is 78552-37-1.
What is the molecular formula of 8-Benzylamino-4-(1-oxido-thiomorpholino)-2-piperazino-pyrimido(5,4-d)pyrimidine?
The molecular formula of 8-Benzylamino-4-(1-oxido-thiomorpholino)-2-piperazino-pyrimido(5,4-d)pyrimidine is C21H26N8OS.
What is the molecular weight of 8-Benzylamino-4-(1-oxido-thiomorpholino)-2-piperazino-pyrimido(5,4-d)pyrimidine?
The molecular weight of 8-Benzylamino-4-(1-oxido-thiomorpholino)-2-piperazino-pyrimido(5,4-d)pyrimidine is 438.20 g/mol.
Where can I buy 8-Benzylamino-4-(1-oxido-thiomorpholino)-2-piperazino-pyrimido(5,4-d)pyrimidine?
You can request a quote for 8-Benzylamino-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-Benzylamino-4-(1-oxido-thiomorpholino)-2-piperazino-pyrimido(5,4-d)pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 8-Benzylamino-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.