4(3H)-Pyrimidinone
TL;DR: 4(3H)-Pyrimidinone (CAS 51953-17-4) is a chemical compound with molecular formula C4H4N2O and molecular weight 96.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5H-pyrimidin-4-one
Also Known As: pyrimidin-4(5h)-one, 5H-pyrimidin-4-one, 4(3H)-Pyrimidinone, 4 -Pyrimidinone, 3H-Pyrimidin-4-one
| Molecular Formula | C4H4N2O |
|---|---|
| Molecular Weight | 96.03 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 41.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 96.032364 |
| Heavy Atoms | 7 |
| Complexity | 137.0 |
Chemical Identifiers
| CAS Number | 51953-17-4 |
|---|---|
| SMILES | C1C=NC=NC1=O |
| InChIKey | TZYQTWHRLVDYPL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4(3H)-Pyrimidinone (CAS 51953-17-4), with molecular formula C4H4N2O and molecular weight 96.03 g/mol. IUPAC: 5H-pyrimidin-4-one.
Chemical Property Profile of 4(3H)-Pyrimidinone
Property Insights of 4(3H)-Pyrimidinone
The XLogP value of -0.6 indicates that 4(3H)-Pyrimidinone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 41.8 Ų, 4(3H)-Pyrimidinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4(3H)-Pyrimidinone has 0 hydrogen bond donor(s) and 1 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 4(3H)-Pyrimidinone?
The CAS number of 4(3H)-Pyrimidinone is 51953-17-4.
What is the molecular formula of 4(3H)-Pyrimidinone?
The molecular formula of 4(3H)-Pyrimidinone is C4H4N2O.
What is the molecular weight of 4(3H)-Pyrimidinone?
The molecular weight of 4(3H)-Pyrimidinone is 96.03 g/mol.
Where can I buy 4(3H)-Pyrimidinone?
You can request a quote for 4(3H)-Pyrimidinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4(3H)-Pyrimidinone?
Yes, KEHONG BIO provides custom synthesis services for 4(3H)-Pyrimidinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.