1-Propargyl-5-bromopyrimidin-2-one
TL;DR: 1-Propargyl-5-bromopyrimidin-2-one (CAS 63331-28-2) is a chemical compound with molecular formula C#CCN1C=C(C=NC1=O)Br and molecular weight 211.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-1-prop-2-ynylpyrimidin-2-one
Also Known As: 1-Propargyl-5-bromopyrimidin-2-one, 5-bromo-1-prop-2-ynylpyrimidin-2-one, 5-Bromo-1-(2-propynyl)-2(1H)-pyrimidinone, 2(1H)-Pyrimidinone, 5-bromo-1-(2-propynyl)-, 5-24-02-00068 (Beilstein Handbook Reference)
| Molecular Formula | C#CCN1C=C(C=NC1=O)Br |
|---|---|
| Molecular Weight | 211.96 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 211.95853 |
| Heavy Atoms | 11 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 63331-28-2 |
|---|---|
| SMILES | C#CCN1C=C(C=NC1=O)Br |
| InChIKey | QHERBSGOAYYCJB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Propargyl-5-bromopyrimidin-2-one (CAS 63331-28-2), with molecular formula C#CCN1C=C(C=NC1=O)Br and molecular weight 211.96 g/mol. IUPAC: 5-bromo-1-prop-2-ynylpyrimidin-2-one.
Chemical Property Profile of 1-Propargyl-5-bromopyrimidin-2-one
Property Insights of 1-Propargyl-5-bromopyrimidin-2-one
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Propargyl-5-bromopyrimidin-2-one. With a topological polar surface area (TPSA) of 32.7 Ų, 1-Propargyl-5-bromopyrimidin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Propargyl-5-bromopyrimidin-2-one 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 1-Propargyl-5-bromopyrimidin-2-one?
The CAS number of 1-Propargyl-5-bromopyrimidin-2-one is 63331-28-2.
What is the molecular formula of 1-Propargyl-5-bromopyrimidin-2-one?
The molecular formula of 1-Propargyl-5-bromopyrimidin-2-one is C#CCN1C=C(C=NC1=O)Br.
What is the molecular weight of 1-Propargyl-5-bromopyrimidin-2-one?
The molecular weight of 1-Propargyl-5-bromopyrimidin-2-one is 211.96 g/mol.
Where can I buy 1-Propargyl-5-bromopyrimidin-2-one?
You can request a quote for 1-Propargyl-5-bromopyrimidin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Propargyl-5-bromopyrimidin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Propargyl-5-bromopyrimidin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.