Triforine
TL;DR: Triforine (CAS 26644-46-2) is a chemical compound with molecular formula C10H14Cl6N4O2 and molecular weight 431.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2,2,2-trichloro-1-[4-(2,2,2-trichloro-1-formamidoethyl)piperazin-1-yl]ethyl]formamide
Also Known As: TRIFORINE, Triforin, Saprol, Funginex, Biformylchlorazin
| Molecular Formula | C10H14Cl6N4O2 |
|---|---|
| Molecular Weight | 431.92 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 64.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 433.92184 |
| Heavy Atoms | 22 |
| Complexity | 345.0 |
| Melting Point | 155 °C (decomposes) |
| Density | 1554 kg/cu m at 20 °C |
| Solubility | Readily soluble in dimethylformamide (330 g/L), dimethyl sulfoxide and N-methylpyrrolidone (476 g/L). Soluble in tetrahydrofuran. Slightly soluble in acetone (11 g/L), dichloromethane (1 g/L), methanol (10 g/L), dioxane, and cyclohexanone. Insoluble in benzene, petroleum ether and cyclohexane. |
| Vapor Pressure | 0.0000002 [mmHg] |
Chemical Identifiers
| CAS Number | 26644-46-2 |
|---|---|
| SMILES | C1CN(CCN1C(C(Cl)(Cl)Cl)NC=O)C(C(Cl)(Cl)Cl)NC=O |
| InChIKey | RROQIUMZODEXOR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Triforine (CAS 26644-46-2), with molecular formula C10H14Cl6N4O2 and molecular weight 431.92 g/mol. IUPAC: N-[2,2,2-trichloro-1-[4-(2,2,2-trichloro-1-formamidoethyl)piperazin-1-yl]ethyl]formamide.
Chemical Property Profile of Triforine
Property Insights of Triforine
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Triforine. The TPSA of 64.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Triforine. Following Lipinski's Rule of Five, Triforine has 2 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 Triforine?
The CAS number of Triforine is 26644-46-2.
What is the molecular formula of Triforine?
The molecular formula of Triforine is C10H14Cl6N4O2.
What is the molecular weight of Triforine?
The molecular weight of Triforine is 431.92 g/mol.
Where can I buy Triforine?
You can request a quote for Triforine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Triforine?
Yes, KEHONG BIO provides custom synthesis services for Triforine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.