1,3,5-三氯-1,3,5-三嗪-2,4,6-三酮
TL;DR: 1,3,5-三氯-1,3,5-三嗪-2,4,6-三酮 (CAS 87-90-1) is a chemical compound with molecular formula C3Cl3N3O3 and molecular weight 230.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,5-三氯-1,3,5-三嗪-2,4,6-三酮
1,3,5-trichloro-1,3,5-triazinane-2,4,6-trione
Also Known As: Symclosene, TRICHLOROISOCYANURIC ACID, Symclosen, Chloreal, Trichlorocyanuric acid
| Molecular Formula | C3Cl3N3O3 |
|---|---|
| Molecular Weight | 230.90 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 60.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 230.90053 |
| Heavy Atoms | 12 |
| Complexity | 202.0 |
| Melting Point | 246.7 °C (decomposes) |
| Density | greater than 1 at 20.0 °C (est) |
| Solubility | Soluble in chlorinated and highly polar solvents |
| Flash Point | > 250 °C (250.0 °C ) open cup |
| Vapor Pressure | 0.00000012 [mmHg] |
Chemical Identifiers
| CAS Number | 87-90-1 |
|---|---|
| SMILES | C1(=O)N(C(=O)N(C(=O)N1Cl)Cl)Cl |
| InChIKey | YRIZYWQGELRKNT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3,5-三氯-1,3,5-三嗪-2,4,6-三酮 (CAS 87-90-1), with molecular formula C3Cl3N3O3 and molecular weight 230.90 g/mol. IUPAC: 1,3,5-trichloro-1,3,5-triazinane-2,4,6-trione.
Chemical Property Profile of 1,3,5-三氯-1,3,5-三嗪-2,4,6-三酮
Property Insights of 1,3,5-三氯-1,3,5-三嗪-2,4,6-三酮
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,5-三氯-1,3,5-三嗪-2,4,6-三酮. The TPSA of 60.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,5-三氯-1,3,5-三嗪-2,4,6-三酮. Following Lipinski's Rule of Five, 1,3,5-三氯-1,3,5-三嗪-2,4,6-三酮 has 0 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 1,3,5-三氯-1,3,5-三嗪-2,4,6-三酮?
The CAS number of 1,3,5-三氯-1,3,5-三嗪-2,4,6-三酮 is 87-90-1.
What is the molecular formula of 1,3,5-三氯-1,3,5-三嗪-2,4,6-三酮?
The molecular formula of 1,3,5-三氯-1,3,5-三嗪-2,4,6-三酮 is C3Cl3N3O3.
What is the molecular weight of 1,3,5-三氯-1,3,5-三嗪-2,4,6-三酮?
The molecular weight of 1,3,5-三氯-1,3,5-三嗪-2,4,6-三酮 is 230.90 g/mol.
Where can I buy 1,3,5-三氯-1,3,5-三嗪-2,4,6-三酮?
You can request a quote for 1,3,5-三氯-1,3,5-三嗪-2,4,6-三酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,5-三氯-1,3,5-三嗪-2,4,6-三酮?
Yes, KEHONG BIO provides custom synthesis services for 1,3,5-三氯-1,3,5-三嗪-2,4,6-三酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.