三聚氰酸
TL;DR: 三聚氰酸 (CAS 108-80-5) is a chemical compound with molecular formula C3H3N3O3 and molecular weight 129.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
三聚氰酸
1,3,5-triazinane-2,4,6-trione
Also Known As: CYANURIC ACID, Isocyanuric acid, 1,3,5-Triazine-2,4,6-triol, Trihydroxycyanidine, Tricyanic acid
| Molecular Formula | C3H3N3O3 |
|---|---|
| Molecular Weight | 129.02 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 87.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 129.01744 |
| Heavy Atoms | 9 |
| Complexity | 135.0 |
| Melting Point | greater than 360.0 °C (DEC.) |
| Boiling Point | DECOMPOSES |
| Density | 2.5 at 20.0 °C |
| Solubility | 0.5 mL (NTP, 1992) |
| Vapor Pressure | 0.00000003 [mmHg] |
Chemical Identifiers
| CAS Number | 108-80-5 |
|---|---|
| SMILES | C1(=O)NC(=O)NC(=O)N1 |
| InChIKey | ZFSLODLOARCGLH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
三聚氰酸 (CAS 108-80-5), with molecular formula C3H3N3O3 and molecular weight 129.02 g/mol. IUPAC: 1,3,5-triazinane-2,4,6-trione.
Chemical Property Profile of 三聚氰酸
Property Insights of 三聚氰酸
The XLogP value of -1.2 indicates that 三聚氰酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 87.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 三聚氰酸. Following Lipinski's Rule of Five, 三聚氰酸 has 3 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 三聚氰酸?
The CAS number of 三聚氰酸 is 108-80-5.
What is the molecular formula of 三聚氰酸?
The molecular formula of 三聚氰酸 is C3H3N3O3.
What is the molecular weight of 三聚氰酸?
The molecular weight of 三聚氰酸 is 129.02 g/mol.
Where can I buy 三聚氰酸?
You can request a quote for 三聚氰酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 三聚氰酸?
Yes, KEHONG BIO provides custom synthesis services for 三聚氰酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.