5-Benzyl-6-hydroxy-1,2,3-triphenylpyrimidin-1-ium-4-one
TL;DR: 5-Benzyl-6-hydroxy-1,2,3-triphenylpyrimidin-1-ium-4-one (CAS 56409-80-4) is a chemical compound with molecular formula C29H23N2O2+ and molecular weight 431.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzyl-6-hydroxy-1,2,3-triphenylpyrimidin-1-ium-4-one
Also Known As: 5-benzyl-6-hydroxy-1,2,3-triphenylpyrimidin-1-ium-4-one, 5-Benzyl-6-hydroxy-4-oxo-1,2,3-triphenyl-3,4-dihydropyrimidin-1-ium
| Molecular Formula | C29H23N2O2+ |
|---|---|
| Molecular Weight | 431.18 g/mol |
| LogP | 5.0776 |
| Topological Polar Surface Area | 46.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 431.17596 |
| Heavy Atoms | 33 |
| Complexity | 1429.991 |
Chemical Identifiers
| CAS Number | 56409-80-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=C([N+](=C(N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)O |
Product Overview
5-Benzyl-6-hydroxy-1,2,3-triphenylpyrimidin-1-ium-4-one (CAS 56409-80-4), with molecular formula C29H23N2O2+ and molecular weight 431.18 g/mol. IUPAC: 5-benzyl-6-hydroxy-1,2,3-triphenylpyrimidin-1-ium-4-one.
Chemical Property Profile of 5-Benzyl-6-hydroxy-1,2,3-triphenylpyrimidin-1-ium-4-one
Property Insights of 5-Benzyl-6-hydroxy-1,2,3-triphenylpyrimidin-1-ium-4-one
The XLogP value of 5.0776 indicates that 5-Benzyl-6-hydroxy-1,2,3-triphenylpyrimidin-1-ium-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.11 Ų, 5-Benzyl-6-hydroxy-1,2,3-triphenylpyrimidin-1-ium-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Benzyl-6-hydroxy-1,2,3-triphenylpyrimidin-1-ium-4-one has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-Benzyl-6-hydroxy-1,2,3-triphenylpyrimidin-1-ium-4-one?
The CAS number of 5-Benzyl-6-hydroxy-1,2,3-triphenylpyrimidin-1-ium-4-one is 56409-80-4.
What is the molecular formula of 5-Benzyl-6-hydroxy-1,2,3-triphenylpyrimidin-1-ium-4-one?
The molecular formula of 5-Benzyl-6-hydroxy-1,2,3-triphenylpyrimidin-1-ium-4-one is C29H23N2O2+.
What is the molecular weight of 5-Benzyl-6-hydroxy-1,2,3-triphenylpyrimidin-1-ium-4-one?
The molecular weight of 5-Benzyl-6-hydroxy-1,2,3-triphenylpyrimidin-1-ium-4-one is 431.18 g/mol.
Where can I buy 5-Benzyl-6-hydroxy-1,2,3-triphenylpyrimidin-1-ium-4-one?
You can request a quote for 5-Benzyl-6-hydroxy-1,2,3-triphenylpyrimidin-1-ium-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Benzyl-6-hydroxy-1,2,3-triphenylpyrimidin-1-ium-4-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Benzyl-6-hydroxy-1,2,3-triphenylpyrimidin-1-ium-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.