4,6-Bis(nitrosomethyl)pyrimidin-2(1h)-one
TL;DR: 4,6-Bis(nitrosomethyl)pyrimidin-2(1h)-one (CAS 83495-79-8) is a chemical compound with molecular formula C6H6N4O3 and molecular weight 182.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-bis(nitrosomethyl)-1H-pyrimidin-2-one
Also Known As: 4,6-bis(nitrosomethyl)pyrimidin-2(1h)-one, 4,6-bis(nitrosomethyl)-1H-pyrimidin-2-one, 2(1H)-Pyrimidinone,4,6-bis(nitrosomethyl)-
| Molecular Formula | C6H6N4O3 |
|---|---|
| Molecular Weight | 182.04 g/mol |
| LogP | -1.5 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 182.04399 |
| Heavy Atoms | 13 |
| Complexity | 307.0 |
Chemical Identifiers
| CAS Number | 83495-79-8 |
|---|---|
| SMILES | C1=C(NC(=O)N=C1CN=O)CN=O |
| InChIKey | XDMFDKTZAPKCIW-UHFFFAOYSA-N |
Product Overview
4,6-Bis(nitrosomethyl)pyrimidin-2(1h)-one (CAS 83495-79-8), with molecular formula C6H6N4O3 and molecular weight 182.04 g/mol. IUPAC: 4,6-bis(nitrosomethyl)-1H-pyrimidin-2-one.
Chemical Property Profile of 4,6-Bis(nitrosomethyl)pyrimidin-2(1h)-one
Property Insights of 4,6-Bis(nitrosomethyl)pyrimidin-2(1h)-one
The XLogP value of -1.5 indicates that 4,6-Bis(nitrosomethyl)pyrimidin-2(1h)-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,6-Bis(nitrosomethyl)pyrimidin-2(1h)-one. Following Lipinski's Rule of Five, 4,6-Bis(nitrosomethyl)pyrimidin-2(1h)-one has 1 hydrogen bond donor(s) and 5 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 4,6-Bis(nitrosomethyl)pyrimidin-2(1h)-one?
The CAS number of 4,6-Bis(nitrosomethyl)pyrimidin-2(1h)-one is 83495-79-8.
What is the molecular formula of 4,6-Bis(nitrosomethyl)pyrimidin-2(1h)-one?
The molecular formula of 4,6-Bis(nitrosomethyl)pyrimidin-2(1h)-one is C6H6N4O3.
What is the molecular weight of 4,6-Bis(nitrosomethyl)pyrimidin-2(1h)-one?
The molecular weight of 4,6-Bis(nitrosomethyl)pyrimidin-2(1h)-one is 182.04 g/mol.
Where can I buy 4,6-Bis(nitrosomethyl)pyrimidin-2(1h)-one?
You can request a quote for 4,6-Bis(nitrosomethyl)pyrimidin-2(1h)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6-Bis(nitrosomethyl)pyrimidin-2(1h)-one?
Yes, KEHONG BIO provides custom synthesis services for 4,6-Bis(nitrosomethyl)pyrimidin-2(1h)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.