4(3H)-Pyrimidinone, 5-bromo-
TL;DR: 4(3H)-Pyrimidinone, 5-bromo- (CAS 19808-30-1) 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-6-one
Also Known As: 5-bromopyrimidin-4-ol, 5-bromopyrimidin-4(3H)-one, 5-Bromo-4-hydroxypyrimidine, 5-Bromo-1H-pyrimidin-4-one, null
| 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 | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 173.94289 |
| Heavy Atoms | 8 |
| Complexity | 173.0 |
Chemical Identifiers
| CAS Number | 19808-30-1 |
|---|---|
| SMILES | C1=C(C(=O)NC=N1)Br |
| InChIKey | CLJIGLPOBRSBNU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4(3H)-Pyrimidinone, 5-bromo- (CAS 19808-30-1), with molecular formula C4H3BrN2O and molecular weight 173.94 g/mol. IUPAC: 5-bromo-1H-pyrimidin-6-one.
Chemical Property Profile of 4(3H)-Pyrimidinone, 5-bromo-
Property Insights of 4(3H)-Pyrimidinone, 5-bromo-
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4(3H)-Pyrimidinone, 5-bromo-. With a topological polar surface area (TPSA) of 41.5 Ų, 4(3H)-Pyrimidinone, 5-bromo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4(3H)-Pyrimidinone, 5-bromo- has 1 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 4(3H)-Pyrimidinone, 5-bromo-?
The CAS number of 4(3H)-Pyrimidinone, 5-bromo- is 19808-30-1.
What is the molecular formula of 4(3H)-Pyrimidinone, 5-bromo-?
The molecular formula of 4(3H)-Pyrimidinone, 5-bromo- is C4H3BrN2O.
What is the molecular weight of 4(3H)-Pyrimidinone, 5-bromo-?
The molecular weight of 4(3H)-Pyrimidinone, 5-bromo- is 173.94 g/mol.
Where can I buy 4(3H)-Pyrimidinone, 5-bromo-?
You can request a quote for 4(3H)-Pyrimidinone, 5-bromo- 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, 5-bromo-?
Yes, KEHONG BIO provides custom synthesis services for 4(3H)-Pyrimidinone, 5-bromo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.