Bromacil
TL;DR: Bromacil (CAS 314-40-9) is a chemical compound with molecular formula C9H13BrN2O2 and molecular weight 260.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-3-butan-2-yl-6-methyl-1H-pyrimidine-2,4-dione
Also Known As: BROMACIL, Bromazil, Uragan, Borea, Borocil
| Molecular Formula | C9H13BrN2O2 |
|---|---|
| Molecular Weight | 260.02 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 49.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 260.01605 |
| Heavy Atoms | 14 |
| Complexity | 312.0 |
| Melting Point | 158.3 °C (Sublimes) |
| Boiling Point | Sublimes |
| Density | 1.55 |
| Solubility | 0.08 % at 77 °F (NIOSH, 2024) |
| Vapor Pressure | 0.0008 mmHg at 100.0 °C |
Chemical Identifiers
| CAS Number | 314-40-9 |
|---|---|
| SMILES | CCC(C)N1C(=O)C(=C(NC1=O)C)Br |
| InChIKey | CTSLUCNDVMMDHG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bromacil (CAS 314-40-9), with molecular formula C9H13BrN2O2 and molecular weight 260.02 g/mol. IUPAC: 5-bromo-3-butan-2-yl-6-methyl-1H-pyrimidine-2,4-dione.
Chemical Property Profile of Bromacil
Property Insights of Bromacil
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bromacil. With a topological polar surface area (TPSA) of 49.4 Ų, Bromacil exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bromacil 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 Bromacil?
The CAS number of Bromacil is 314-40-9.
What is the molecular formula of Bromacil?
The molecular formula of Bromacil is C9H13BrN2O2.
What is the molecular weight of Bromacil?
The molecular weight of Bromacil is 260.02 g/mol.
Where can I buy Bromacil?
You can request a quote for Bromacil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bromacil?
Yes, KEHONG BIO provides custom synthesis services for Bromacil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.