5-Nitro-4,6-bis(pyrimidin-2-ylsulfanyl)pyrimidine
TL;DR: 5-Nitro-4,6-bis(pyrimidin-2-ylsulfanyl)pyrimidine (CAS 73768-69-1) is a chemical compound with molecular formula C12H7N7O2S2 and molecular weight 345.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-nitro-4,6-bis(pyrimidin-2-ylsulfanyl)pyrimidine
Also Known As: 5-nitro-4,6-bis(pyrimidin-2-ylsulfanyl)pyrimidine, Pyrimidine, 5-nitro-4,6-bis(2-pyrimidinylthio)-, 5-Nitro-4,6-bis(2-pyrimidinylthio)pyrimidine, 2,2'-[(5-Nitropyrimidine-4,6-diyl)bis(sulfanediyl)]dipyrimidine
| Molecular Formula | C12H7N7O2S2 |
|---|---|
| Molecular Weight | 345.01 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 174.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 345.01025 |
| Heavy Atoms | 23 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 73768-69-1 |
|---|---|
| SMILES | C1=CN=C(N=C1)SC2=C(C(=NC=N2)SC3=NC=CC=N3)[N+](=O)[O-] |
| InChIKey | UNWIJFQLDBRDJI-UHFFFAOYSA-N |
Product Overview
5-Nitro-4,6-bis(pyrimidin-2-ylsulfanyl)pyrimidine (CAS 73768-69-1), with molecular formula C12H7N7O2S2 and molecular weight 345.01 g/mol. IUPAC: 5-nitro-4,6-bis(pyrimidin-2-ylsulfanyl)pyrimidine.
Chemical Property Profile of 5-Nitro-4,6-bis(pyrimidin-2-ylsulfanyl)pyrimidine
Property Insights of 5-Nitro-4,6-bis(pyrimidin-2-ylsulfanyl)pyrimidine
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Nitro-4,6-bis(pyrimidin-2-ylsulfanyl)pyrimidine. The TPSA of 174.0 Ų indicates high polarity, suggesting 5-Nitro-4,6-bis(pyrimidin-2-ylsulfanyl)pyrimidine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-Nitro-4,6-bis(pyrimidin-2-ylsulfanyl)pyrimidine has 0 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 5-Nitro-4,6-bis(pyrimidin-2-ylsulfanyl)pyrimidine?
The CAS number of 5-Nitro-4,6-bis(pyrimidin-2-ylsulfanyl)pyrimidine is 73768-69-1.
What is the molecular formula of 5-Nitro-4,6-bis(pyrimidin-2-ylsulfanyl)pyrimidine?
The molecular formula of 5-Nitro-4,6-bis(pyrimidin-2-ylsulfanyl)pyrimidine is C12H7N7O2S2.
What is the molecular weight of 5-Nitro-4,6-bis(pyrimidin-2-ylsulfanyl)pyrimidine?
The molecular weight of 5-Nitro-4,6-bis(pyrimidin-2-ylsulfanyl)pyrimidine is 345.01 g/mol.
Where can I buy 5-Nitro-4,6-bis(pyrimidin-2-ylsulfanyl)pyrimidine?
You can request a quote for 5-Nitro-4,6-bis(pyrimidin-2-ylsulfanyl)pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Nitro-4,6-bis(pyrimidin-2-ylsulfanyl)pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 5-Nitro-4,6-bis(pyrimidin-2-ylsulfanyl)pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.