6-Oxo-1,2,3,5-tetraphenylpyrimidin-3-ium-4-olate
TL;DR: 6-Oxo-1,2,3,5-tetraphenylpyrimidin-3-ium-4-olate (CAS 56431-38-0) is a chemical compound with molecular formula C28H20N2O2 and molecular weight 416.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-oxo-1,2,3,5-tetraphenylpyrimidin-3-ium-4-olate
Also Known As: 6-oxo-1,2,3,5-tetraphenylpyrimidin-3-ium-4-olate, AE-406/41056589, 6-oxo-1,2,3,5-tetraphenyl-3,6-dihydropyrimidin-1-ium-4-olate
| Molecular Formula | C28H20N2O2 |
|---|---|
| Molecular Weight | 416.15 g/mol |
| LogP | 4.5218 |
| Topological Polar Surface Area | 48.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 416.15247 |
| Heavy Atoms | 32 |
| Complexity | 1413.2693 |
Chemical Identifiers
| CAS Number | 56431-38-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C([N+](=C(N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)[O-] |
Product Overview
6-Oxo-1,2,3,5-tetraphenylpyrimidin-3-ium-4-olate (CAS 56431-38-0), with molecular formula C28H20N2O2 and molecular weight 416.15 g/mol. IUPAC: 6-oxo-1,2,3,5-tetraphenylpyrimidin-3-ium-4-olate.
Chemical Property Profile of 6-Oxo-1,2,3,5-tetraphenylpyrimidin-3-ium-4-olate
Property Insights of 6-Oxo-1,2,3,5-tetraphenylpyrimidin-3-ium-4-olate
The XLogP value of 4.5218 indicates that 6-Oxo-1,2,3,5-tetraphenylpyrimidin-3-ium-4-olate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.94 Ų, 6-Oxo-1,2,3,5-tetraphenylpyrimidin-3-ium-4-olate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Oxo-1,2,3,5-tetraphenylpyrimidin-3-ium-4-olate has 0 hydrogen bond donor(s) and 2 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 6-Oxo-1,2,3,5-tetraphenylpyrimidin-3-ium-4-olate?
The CAS number of 6-Oxo-1,2,3,5-tetraphenylpyrimidin-3-ium-4-olate is 56431-38-0.
What is the molecular formula of 6-Oxo-1,2,3,5-tetraphenylpyrimidin-3-ium-4-olate?
The molecular formula of 6-Oxo-1,2,3,5-tetraphenylpyrimidin-3-ium-4-olate is C28H20N2O2.
What is the molecular weight of 6-Oxo-1,2,3,5-tetraphenylpyrimidin-3-ium-4-olate?
The molecular weight of 6-Oxo-1,2,3,5-tetraphenylpyrimidin-3-ium-4-olate is 416.15 g/mol.
Where can I buy 6-Oxo-1,2,3,5-tetraphenylpyrimidin-3-ium-4-olate?
You can request a quote for 6-Oxo-1,2,3,5-tetraphenylpyrimidin-3-ium-4-olate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Oxo-1,2,3,5-tetraphenylpyrimidin-3-ium-4-olate?
Yes, KEHONG BIO provides custom synthesis services for 6-Oxo-1,2,3,5-tetraphenylpyrimidin-3-ium-4-olate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.