Tetrachloroglycoluril
TL;DR: Tetrachloroglycoluril (CAS 776-19-2) is a chemical compound with molecular formula C4H2Cl4N4O2 and molecular weight 277.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,4,6-tetrachloro-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
Also Known As: Tetrachloroglycoluril, Daxan, 1,3,4,6-Tetrachloroglycoluril, Chlorinated glycoluril, Caswell No. 829
| Molecular Formula | C4H2Cl4N4O2 |
|---|---|
| Molecular Weight | 277.89 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 47.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 279.89023 |
| Heavy Atoms | 14 |
| Complexity | 260.0 |
Chemical Identifiers
| CAS Number | 776-19-2 |
|---|---|
| SMILES | C12C(N(C(=O)N1Cl)Cl)N(C(=O)N2Cl)Cl |
| InChIKey | TWVLNKKMSLYUQQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tetrachloroglycoluril (CAS 776-19-2), with molecular formula C4H2Cl4N4O2 and molecular weight 277.89 g/mol. IUPAC: 1,3,4,6-tetrachloro-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione.
Chemical Property Profile of Tetrachloroglycoluril
Property Insights of Tetrachloroglycoluril
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tetrachloroglycoluril. With a topological polar surface area (TPSA) of 47.1 Ų, Tetrachloroglycoluril exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tetrachloroglycoluril 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 Tetrachloroglycoluril?
The CAS number of Tetrachloroglycoluril is 776-19-2.
What is the molecular formula of Tetrachloroglycoluril?
The molecular formula of Tetrachloroglycoluril is C4H2Cl4N4O2.
What is the molecular weight of Tetrachloroglycoluril?
The molecular weight of Tetrachloroglycoluril is 277.89 g/mol.
Where can I buy Tetrachloroglycoluril?
You can request a quote for Tetrachloroglycoluril directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tetrachloroglycoluril?
Yes, KEHONG BIO provides custom synthesis services for Tetrachloroglycoluril and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.