5-Bromo-2(1H)-pyrimidinone
TL;DR: 5-Bromo-2(1H)-pyrimidinone (CAS 38353-06-9) is a chemical compound with molecular formula C4H3BrN2O and molecular weight 173.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-1H-pyrimidin-2-one
Also Known As: 5-Bromo-2-hydroxypyrimidine, 5-bromopyrimidin-2-ol, 5-Bromo-2-pyrimidinone, 5-Bromo-1H-pyrimidin-2-one, 5-Bromopyrimidin-2(1H)-one
| Molecular Formula | C4H3BrN2O |
|---|---|
| Molecular Weight | 173.94 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 41.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 173.94289 |
| Heavy Atoms | 8 |
| Complexity | 173.0 |
Chemical Identifiers
| CAS Number | 38353-06-9 |
|---|---|
| SMILES | C1=C(C=NC(=O)N1)Br |
| InChIKey | VTUDATOSQGYWML-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Bromo-2(1H)-pyrimidinone (CAS 38353-06-9), with molecular formula C4H3BrN2O and molecular weight 173.94 g/mol. IUPAC: 5-bromo-1H-pyrimidin-2-one.
Chemical Property Profile of 5-Bromo-2(1H)-pyrimidinone
Property Insights of 5-Bromo-2(1H)-pyrimidinone
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Bromo-2(1H)-pyrimidinone. With a topological polar surface area (TPSA) of 41.5 Ų, 5-Bromo-2(1H)-pyrimidinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Bromo-2(1H)-pyrimidinone has 1 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 5-Bromo-2(1H)-pyrimidinone?
The CAS number of 5-Bromo-2(1H)-pyrimidinone is 38353-06-9.
What is the molecular formula of 5-Bromo-2(1H)-pyrimidinone?
The molecular formula of 5-Bromo-2(1H)-pyrimidinone is C4H3BrN2O.
What is the molecular weight of 5-Bromo-2(1H)-pyrimidinone?
The molecular weight of 5-Bromo-2(1H)-pyrimidinone is 173.94 g/mol.
Where can I buy 5-Bromo-2(1H)-pyrimidinone?
You can request a quote for 5-Bromo-2(1H)-pyrimidinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bromo-2(1H)-pyrimidinone?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-2(1H)-pyrimidinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.