1-Bromo-3-chloro-5,5-dimethylhydantoin
TL;DR: 1-Bromo-3-chloro-5,5-dimethylhydantoin (CAS 16079-88-2) is a chemical compound with molecular formula C5H6BrClN2O2 and molecular weight 239.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-3-chloro-5,5-dimethylimidazolidine-2,4-dione
Also Known As: Agribrom, 1-Bromo-3-chloro-5,5-dimethylhydantoin, 1-BROMO-3-CHLORO-5,5-DIMETHYLIMIDAZOLIDINE-2,4-DIONE, di-Halo, Slimicide 78P
| Molecular Formula | C5H6BrClN2O2 |
|---|---|
| Molecular Weight | 239.93 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 40.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 239.93011 |
| Heavy Atoms | 11 |
| Complexity | 231.0 |
| Melting Point | 163-164 °C |
| Density | Approximately 1.8-2.0 |
| Solubility | In water, 0.15 g/100g water at 20 °C |
| Vapor Pressure | 0.00000661 [mmHg] |
Chemical Identifiers
| CAS Number | 16079-88-2 |
|---|---|
| SMILES | CC1(C(=O)N(C(=O)N1Br)Cl)C |
| InChIKey | PIEXCQIOSMOEOU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Bromo-3-chloro-5,5-dimethylhydantoin (CAS 16079-88-2), with molecular formula C5H6BrClN2O2 and molecular weight 239.93 g/mol. IUPAC: 1-bromo-3-chloro-5,5-dimethylimidazolidine-2,4-dione.
Chemical Property Profile of 1-Bromo-3-chloro-5,5-dimethylhydantoin
Property Insights of 1-Bromo-3-chloro-5,5-dimethylhydantoin
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Bromo-3-chloro-5,5-dimethylhydantoin. With a topological polar surface area (TPSA) of 40.6 Ų, 1-Bromo-3-chloro-5,5-dimethylhydantoin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Bromo-3-chloro-5,5-dimethylhydantoin has 0 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 1-Bromo-3-chloro-5,5-dimethylhydantoin?
The CAS number of 1-Bromo-3-chloro-5,5-dimethylhydantoin is 16079-88-2.
What is the molecular formula of 1-Bromo-3-chloro-5,5-dimethylhydantoin?
The molecular formula of 1-Bromo-3-chloro-5,5-dimethylhydantoin is C5H6BrClN2O2.
What is the molecular weight of 1-Bromo-3-chloro-5,5-dimethylhydantoin?
The molecular weight of 1-Bromo-3-chloro-5,5-dimethylhydantoin is 239.93 g/mol.
Where can I buy 1-Bromo-3-chloro-5,5-dimethylhydantoin?
You can request a quote for 1-Bromo-3-chloro-5,5-dimethylhydantoin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Bromo-3-chloro-5,5-dimethylhydantoin?
Yes, KEHONG BIO provides custom synthesis services for 1-Bromo-3-chloro-5,5-dimethylhydantoin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.