1,3-Diethyl-4-oxo-6-phenylpyrimidinium
TL;DR: 1,3-Diethyl-4-oxo-6-phenylpyrimidinium (CAS 62880-06-2) is a chemical compound with molecular formula C14H17N2O+ and molecular weight 229.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-diethyl-6-phenylpyrimidin-1-ium-4-one
Also Known As: 1,3-Diethyl-4-oxo-6-phenylpyrimidinium, 1,3-diethyl-4-oxo-6-phenyl-1,4-dihydropyrimidin-3-ium, 1,3-diethyl-6-phenylpyrimidin-3-ium-4-one, 1,3-diethyl-6-phenylhydropyrimidin-4-one, 1,3-diethyl-6-oxo-4-phenyl-3,6-dihydropyrimidin-1-ium
| Molecular Formula | C14H17N2O+ |
|---|---|
| Molecular Weight | 229.13 g/mol |
| LogP | 1.8426 |
| Topological Polar Surface Area | 25.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 229.1341 |
| Heavy Atoms | 17 |
| Complexity | 558.18005 |
Chemical Identifiers
| CAS Number | 62880-06-2 |
|---|---|
| SMILES | CCN1C=[N+](C(=CC1=O)C2=CC=CC=C2)CC |
Product Overview
1,3-Diethyl-4-oxo-6-phenylpyrimidinium (CAS 62880-06-2), with molecular formula C14H17N2O+ and molecular weight 229.13 g/mol. IUPAC: 1,3-diethyl-6-phenylpyrimidin-1-ium-4-one.
Chemical Property Profile of 1,3-Diethyl-4-oxo-6-phenylpyrimidinium
Property Insights of 1,3-Diethyl-4-oxo-6-phenylpyrimidinium
The XLogP value of 1.8426 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Diethyl-4-oxo-6-phenylpyrimidinium. With a topological polar surface area (TPSA) of 25.88 Ų, 1,3-Diethyl-4-oxo-6-phenylpyrimidinium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Diethyl-4-oxo-6-phenylpyrimidinium has 0 hydrogen bond donor(s) and 1 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 1,3-Diethyl-4-oxo-6-phenylpyrimidinium?
The CAS number of 1,3-Diethyl-4-oxo-6-phenylpyrimidinium is 62880-06-2.
What is the molecular formula of 1,3-Diethyl-4-oxo-6-phenylpyrimidinium?
The molecular formula of 1,3-Diethyl-4-oxo-6-phenylpyrimidinium is C14H17N2O+.
What is the molecular weight of 1,3-Diethyl-4-oxo-6-phenylpyrimidinium?
The molecular weight of 1,3-Diethyl-4-oxo-6-phenylpyrimidinium is 229.13 g/mol.
Where can I buy 1,3-Diethyl-4-oxo-6-phenylpyrimidinium?
You can request a quote for 1,3-Diethyl-4-oxo-6-phenylpyrimidinium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Diethyl-4-oxo-6-phenylpyrimidinium?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Diethyl-4-oxo-6-phenylpyrimidinium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.