(E)-2-Diazonio-1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)ethen-1-olate
TL;DR: (E)-2-Diazonio-1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)ethen-1-olate (CAS 7402-42-8) is a chemical compound with molecular formula C6H4N4O3 and molecular weight 180.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-diazoacetyl)-1H-pyrimidine-2,4-dione
Also Known As: 2-diazonio-1-(2,4-dioxo-1H-pyrimidin-5-yl)ethenolate, (E)-2-diazonio-1-(2,4-dioxo-1H-pyrimidin-5-yl)ethenolate, (E)-2-Diazonio-1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)ethen-1-olate
| Molecular Formula | C6H4N4O3 |
|---|---|
| Molecular Weight | 180.03 g/mol |
| LogP | -1.4535 |
| Topological Polar Surface Area | 119.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.02834 |
| Heavy Atoms | 13 |
| Complexity | 491.0911 |
Chemical Identifiers
| CAS Number | 7402-42-8 |
|---|---|
| SMILES | C1=C(C(=O)NC(=O)N1)C(=O)C=[N+]=[N-] |
Product Overview
(E)-2-Diazonio-1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)ethen-1-olate (CAS 7402-42-8), with molecular formula C6H4N4O3 and molecular weight 180.03 g/mol. IUPAC: 5-(2-diazoacetyl)-1H-pyrimidine-2,4-dione.
Chemical Property Profile of (E)-2-Diazonio-1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)ethen-1-olate
Property Insights of (E)-2-Diazonio-1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)ethen-1-olate
The XLogP value of -1.4535 indicates that (E)-2-Diazonio-1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)ethen-1-olate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 119.19 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-Diazonio-1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)ethen-1-olate. Following Lipinski's Rule of Five, (E)-2-Diazonio-1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)ethen-1-olate has 2 hydrogen bond donor(s) and 3 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 (E)-2-Diazonio-1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)ethen-1-olate?
The CAS number of (E)-2-Diazonio-1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)ethen-1-olate is 7402-42-8.
What is the molecular formula of (E)-2-Diazonio-1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)ethen-1-olate?
The molecular formula of (E)-2-Diazonio-1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)ethen-1-olate is C6H4N4O3.
What is the molecular weight of (E)-2-Diazonio-1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)ethen-1-olate?
The molecular weight of (E)-2-Diazonio-1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)ethen-1-olate is 180.03 g/mol.
Where can I buy (E)-2-Diazonio-1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)ethen-1-olate?
You can request a quote for (E)-2-Diazonio-1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)ethen-1-olate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-Diazonio-1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)ethen-1-olate?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-Diazonio-1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)ethen-1-olate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.