Pyrimidine, 4,6-diphenyl-, 1-oxide
TL;DR: Pyrimidine, 4,6-diphenyl-, 1-oxide (CAS 60545-98-4) is a chemical compound with molecular formula C16H12N2O and molecular weight 248.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-oxido-4,6-diphenylpyrimidin-1-ium
Also Known As: Pyrimidine, 4,6-diphenyl-, 1-oxide, 4,6-diphenylpyrimidin-1-ol, 4,6-diphenylpyrimidine 1-oxide, 1-oxido-4,6-diphenylpyrimidin-1-ium, 4,6-Diphenylpyrimidin-1-oxid
| Molecular Formula | C16H12N2O |
|---|---|
| Molecular Weight | 248.09 g/mol |
| LogP | 3.049 |
| Topological Polar Surface Area | 39.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 248.09496 |
| Heavy Atoms | 19 |
| Complexity | 681.626 |
Chemical Identifiers
| CAS Number | 60545-98-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC(=[N+](C=N2)[O-])C3=CC=CC=C3 |
Product Overview
Pyrimidine, 4,6-diphenyl-, 1-oxide (CAS 60545-98-4), with molecular formula C16H12N2O and molecular weight 248.09 g/mol. IUPAC: 1-oxido-4,6-diphenylpyrimidin-1-ium.
Chemical Property Profile of Pyrimidine, 4,6-diphenyl-, 1-oxide
Property Insights of Pyrimidine, 4,6-diphenyl-, 1-oxide
The XLogP value of 3.049 indicates that Pyrimidine, 4,6-diphenyl-, 1-oxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.83 Ų, Pyrimidine, 4,6-diphenyl-, 1-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrimidine, 4,6-diphenyl-, 1-oxide 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 Pyrimidine, 4,6-diphenyl-, 1-oxide?
The CAS number of Pyrimidine, 4,6-diphenyl-, 1-oxide is 60545-98-4.
What is the molecular formula of Pyrimidine, 4,6-diphenyl-, 1-oxide?
The molecular formula of Pyrimidine, 4,6-diphenyl-, 1-oxide is C16H12N2O.
What is the molecular weight of Pyrimidine, 4,6-diphenyl-, 1-oxide?
The molecular weight of Pyrimidine, 4,6-diphenyl-, 1-oxide is 248.09 g/mol.
Where can I buy Pyrimidine, 4,6-diphenyl-, 1-oxide?
You can request a quote for Pyrimidine, 4,6-diphenyl-, 1-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrimidine, 4,6-diphenyl-, 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for Pyrimidine, 4,6-diphenyl-, 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.