5-Bromouracil
TL;DR: 5-Bromouracil (CAS 51-20-7) is a chemical compound with molecular formula C4H3BrN2O2 and molecular weight 189.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-1H-pyrimidine-2,4-dione
Also Known As: 5-Bromouracil, BROMOURACIL, Uracil, 5-bromo-, Bromuracil, 5-bromopyrimidine-2,4(1H,3H)-dione
| Molecular Formula | C4H3BrN2O2 |
|---|---|
| Molecular Weight | 189.94 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 189.93779 |
| Heavy Atoms | 9 |
| Complexity | 199.0 |
| Melting Point | 310.0 °C |
| Solubility | less than 1 mg/mL at 75 °F (NTP, 1992) |
| Vapor Pressure | 0.00000023 [mmHg] |
Chemical Identifiers
| CAS Number | 51-20-7 |
|---|---|
| SMILES | C1=C(C(=O)NC(=O)N1)Br |
| InChIKey | LQLQRFGHAALLLE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Bromouracil (CAS 51-20-7), with molecular formula C4H3BrN2O2 and molecular weight 189.94 g/mol. IUPAC: 5-bromo-1H-pyrimidine-2,4-dione.
Chemical Property Profile of 5-Bromouracil
Property Insights of 5-Bromouracil
The XLogP value of -0.2 indicates that 5-Bromouracil is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 58.2 Ų, 5-Bromouracil exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Bromouracil has 2 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 5-Bromouracil?
The CAS number of 5-Bromouracil is 51-20-7.
What is the molecular formula of 5-Bromouracil?
The molecular formula of 5-Bromouracil is C4H3BrN2O2.
What is the molecular weight of 5-Bromouracil?
The molecular weight of 5-Bromouracil is 189.94 g/mol.
Where can I buy 5-Bromouracil?
You can request a quote for 5-Bromouracil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bromouracil?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromouracil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.