Dichloroisocyanurate
TL;DR: Dichloroisocyanurate (CAS 2782-57-2) is a chemical compound with molecular formula C3HCl2N3O3 and molecular weight 196.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dichloro-1,3,5-triazinane-2,4,6-trione
Also Known As: Troclosene, DICHLOROISOCYANURIC ACID, Orced, Dichloroisocyanurate, Dichlorocyanuric acid
| Molecular Formula | C3HCl2N3O3 |
|---|---|
| Molecular Weight | 196.94 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 196.9395 |
| Heavy Atoms | 11 |
| Complexity | 220.0 |
| Melting Point | 225.0 °C |
| Density | Powder: 34 lb/cu f;, granular 53 lb/cu ft (loose bulk, approximate) |
| Solubility | Insoluble (<1 mg/ml at 81 °F) (NTP, 1992) |
Chemical Identifiers
| CAS Number | 2782-57-2 |
|---|---|
| SMILES | C1(=O)NC(=O)N(C(=O)N1Cl)Cl |
| InChIKey | CEJLBZWIKQJOAT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dichloroisocyanurate (CAS 2782-57-2), with molecular formula C3HCl2N3O3 and molecular weight 196.94 g/mol. IUPAC: 1,3-dichloro-1,3,5-triazinane-2,4,6-trione.
Chemical Property Profile of Dichloroisocyanurate
Property Insights of Dichloroisocyanurate
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dichloroisocyanurate. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Dichloroisocyanurate. Following Lipinski's Rule of Five, Dichloroisocyanurate has 1 hydrogen bond donor(s) and 3 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 Dichloroisocyanurate?
The CAS number of Dichloroisocyanurate is 2782-57-2.
What is the molecular formula of Dichloroisocyanurate?
The molecular formula of Dichloroisocyanurate is C3HCl2N3O3.
What is the molecular weight of Dichloroisocyanurate?
The molecular weight of Dichloroisocyanurate is 196.94 g/mol.
Where can I buy Dichloroisocyanurate?
You can request a quote for Dichloroisocyanurate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dichloroisocyanurate?
Yes, KEHONG BIO provides custom synthesis services for Dichloroisocyanurate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.