Phenyl(pyrimidin-4-yl)methanone
TL;DR: Phenyl(pyrimidin-4-yl)methanone (CAS 68027-80-5) is a chemical compound with molecular formula C11H8N2O and molecular weight 184.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl(pyrimidin-4-yl)methanone
Also Known As: phenyl(pyrimidin-4-yl)methanone, 4-benzoylpyrimidine, Methanone, phenyl-4-pyrimidinyl-, Methanone,phenyl-4-pyrimidinyl-, Phenyl(4-pyrimidinyl) ketone
| Molecular Formula | C11H8N2O |
|---|---|
| Molecular Weight | 184.06 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 42.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 184.06366 |
| Heavy Atoms | 14 |
| Complexity | 199.0 |
Chemical Identifiers
| CAS Number | 68027-80-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C2=NC=NC=C2 |
| InChIKey | VJPPUSSPWUGUEM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenyl(pyrimidin-4-yl)methanone (CAS 68027-80-5), with molecular formula C11H8N2O and molecular weight 184.06 g/mol. IUPAC: phenyl(pyrimidin-4-yl)methanone.
Chemical Property Profile of Phenyl(pyrimidin-4-yl)methanone
Property Insights of Phenyl(pyrimidin-4-yl)methanone
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenyl(pyrimidin-4-yl)methanone. With a topological polar surface area (TPSA) of 42.9 Ų, Phenyl(pyrimidin-4-yl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl(pyrimidin-4-yl)methanone has 0 hydrogen bond donor(s) and 3 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 Phenyl(pyrimidin-4-yl)methanone?
The CAS number of Phenyl(pyrimidin-4-yl)methanone is 68027-80-5.
What is the molecular formula of Phenyl(pyrimidin-4-yl)methanone?
The molecular formula of Phenyl(pyrimidin-4-yl)methanone is C11H8N2O.
What is the molecular weight of Phenyl(pyrimidin-4-yl)methanone?
The molecular weight of Phenyl(pyrimidin-4-yl)methanone is 184.06 g/mol.
Where can I buy Phenyl(pyrimidin-4-yl)methanone?
You can request a quote for Phenyl(pyrimidin-4-yl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl(pyrimidin-4-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for Phenyl(pyrimidin-4-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.