1-Oxo-4-phenyl-1lambda~5~-pyrimidine
TL;DR: 1-Oxo-4-phenyl-1lambda~5~-pyrimidine (CAS 14161-40-1) is a chemical compound with molecular formula C10H8N2O and molecular weight 172.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-oxido-4-phenylpyrimidin-1-ium
Also Known As: 4-phenylpyrimidine 1-oxide, 1-oxido-4-phenylpyrimidin-1-ium, 1-Oxo-4-phenyl-1lambda~5~-pyrimidine, RefChem:232861
| Molecular Formula | C10H8N2O |
|---|---|
| Molecular Weight | 172.06 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 38.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 172.06366 |
| Heavy Atoms | 13 |
| Complexity | 157.0 |
Chemical Identifiers
| CAS Number | 14161-40-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC=[N+](C=C2)[O-] |
| InChIKey | KJDIYMDPWFMDCZ-UHFFFAOYSA-N |
Product Overview
1-Oxo-4-phenyl-1lambda~5~-pyrimidine (CAS 14161-40-1), with molecular formula C10H8N2O and molecular weight 172.06 g/mol. IUPAC: 1-oxido-4-phenylpyrimidin-1-ium.
Chemical Property Profile of 1-Oxo-4-phenyl-1lambda~5~-pyrimidine
Property Insights of 1-Oxo-4-phenyl-1lambda~5~-pyrimidine
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Oxo-4-phenyl-1lambda~5~-pyrimidine. With a topological polar surface area (TPSA) of 38.4 Ų, 1-Oxo-4-phenyl-1lambda~5~-pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Oxo-4-phenyl-1lambda~5~-pyrimidine 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 1-Oxo-4-phenyl-1lambda~5~-pyrimidine?
The CAS number of 1-Oxo-4-phenyl-1lambda~5~-pyrimidine is 14161-40-1.
What is the molecular formula of 1-Oxo-4-phenyl-1lambda~5~-pyrimidine?
The molecular formula of 1-Oxo-4-phenyl-1lambda~5~-pyrimidine is C10H8N2O.
What is the molecular weight of 1-Oxo-4-phenyl-1lambda~5~-pyrimidine?
The molecular weight of 1-Oxo-4-phenyl-1lambda~5~-pyrimidine is 172.06 g/mol.
Where can I buy 1-Oxo-4-phenyl-1lambda~5~-pyrimidine?
You can request a quote for 1-Oxo-4-phenyl-1lambda~5~-pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Oxo-4-phenyl-1lambda~5~-pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 1-Oxo-4-phenyl-1lambda~5~-pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.