二氯异氰尿酸钠
TL;DR: 二氯异氰尿酸钠 (CAS 81918-50-5) is a chemical compound with molecular formula C3Cl2N3NaO3 and molecular weight 218.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二氯异氰尿酸钠
sodium 1,5-dichloro-4,6-dioxo-1,3,5-triazin-2-olate
Also Known As: Dikonit, Simpla, Troclosene sodium, Actisept, Actisan
| Molecular Formula | C3Cl2N3NaO3 |
|---|---|
| Molecular Weight | 218.92 g/mol |
| LogP | -4.5136 |
| Topological Polar Surface Area | 58.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 218.92145 |
| Heavy Atoms | 12 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 81918-50-5 |
|---|---|
| SMILES | C1(=NC(=O)N(C(=O)N1Cl)Cl)[O-].[Na+] |
| InChIKey | MSFGZHUJTJBYFA-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
二氯异氰尿酸钠 (CAS 81918-50-5), with molecular formula C3Cl2N3NaO3 and molecular weight 218.92 g/mol. IUPAC: sodium 1,5-dichloro-4,6-dioxo-1,3,5-triazin-2-olate.
Chemical Property Profile of 二氯异氰尿酸钠
Property Insights of 二氯异氰尿酸钠
The XLogP value of -4.5136 indicates that 二氯异氰尿酸钠 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 58.7 Ų, 二氯异氰尿酸钠 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 二氯异氰尿酸钠 has 0 hydrogen bond donor(s) and 4 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 二氯异氰尿酸钠?
The CAS number of 二氯异氰尿酸钠 is 81918-50-5.
What is the molecular formula of 二氯异氰尿酸钠?
The molecular formula of 二氯异氰尿酸钠 is C3Cl2N3NaO3.
What is the molecular weight of 二氯异氰尿酸钠?
The molecular weight of 二氯异氰尿酸钠 is 218.92 g/mol.
Where can I buy 二氯异氰尿酸钠?
You can request a quote for 二氯异氰尿酸钠 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二氯异氰尿酸钠?
Yes, KEHONG BIO provides custom synthesis services for 二氯异氰尿酸钠 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.