5-Ethyl-2,6-dioxo-5-phenylpyrimidin-4-olate
TL;DR: 5-Ethyl-2,6-dioxo-5-phenylpyrimidin-4-olate (CAS 7645-05-8) is a chemical compound with molecular formula C12H11N2O3- and molecular weight 231.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethyl-2,6-dioxo-5-phenylpyrimidin-4-olate
Also Known As: 5-ethyl-4,6-dioxo-5-phenyl-1H-pyrimidin-2-olate, magnesium 5-ethyl-4,6-dioxo-5-phenyl-1H-pyrimidin-2-olate
| Molecular Formula | C12H11N2O3- |
|---|---|
| Molecular Weight | 231.08 g/mol |
| LogP | 0.343 |
| Topological Polar Surface Area | 81.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 231.07697 |
| Heavy Atoms | 17 |
| Complexity | 495.73203 |
Chemical Identifiers
| CAS Number | 7645-05-8 |
|---|---|
| SMILES | CCC1(C(=O)NC(=O)N=C1[O-])C2=CC=CC=C2 |
Product Overview
5-Ethyl-2,6-dioxo-5-phenylpyrimidin-4-olate (CAS 7645-05-8), with molecular formula C12H11N2O3- and molecular weight 231.08 g/mol. IUPAC: 5-ethyl-2,6-dioxo-5-phenylpyrimidin-4-olate.
Chemical Property Profile of 5-Ethyl-2,6-dioxo-5-phenylpyrimidin-4-olate
Property Insights of 5-Ethyl-2,6-dioxo-5-phenylpyrimidin-4-olate
The XLogP value of 0.343 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Ethyl-2,6-dioxo-5-phenylpyrimidin-4-olate. The TPSA of 81.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Ethyl-2,6-dioxo-5-phenylpyrimidin-4-olate. Following Lipinski's Rule of Five, 5-Ethyl-2,6-dioxo-5-phenylpyrimidin-4-olate has 1 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 5-Ethyl-2,6-dioxo-5-phenylpyrimidin-4-olate?
The CAS number of 5-Ethyl-2,6-dioxo-5-phenylpyrimidin-4-olate is 7645-05-8.
What is the molecular formula of 5-Ethyl-2,6-dioxo-5-phenylpyrimidin-4-olate?
The molecular formula of 5-Ethyl-2,6-dioxo-5-phenylpyrimidin-4-olate is C12H11N2O3-.
What is the molecular weight of 5-Ethyl-2,6-dioxo-5-phenylpyrimidin-4-olate?
The molecular weight of 5-Ethyl-2,6-dioxo-5-phenylpyrimidin-4-olate is 231.08 g/mol.
Where can I buy 5-Ethyl-2,6-dioxo-5-phenylpyrimidin-4-olate?
You can request a quote for 5-Ethyl-2,6-dioxo-5-phenylpyrimidin-4-olate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Ethyl-2,6-dioxo-5-phenylpyrimidin-4-olate?
Yes, KEHONG BIO provides custom synthesis services for 5-Ethyl-2,6-dioxo-5-phenylpyrimidin-4-olate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.