RefChem:1077806
TL;DR: RefChem:1077806 (CAS 58892-48-1) is a chemical compound with molecular formula C17H20F3N7O and molecular weight 395.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[4-[(2E)-2-benzylidenehydrazinyl]-6-(trifluoromethyl)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol
Also Known As: Benzaldehyde, (4-(4-(2-hydroxyethyl)-1-piperazinyl)-6-(trifluoromethyl)-1,3,5-triazin-2-yl)hydrazone, RefChem:1077806
| Molecular Formula | C17H20F3N7O |
|---|---|
| Molecular Weight | 395.17 g/mol |
| LogP | 1.4507 |
| Topological Polar Surface Area | 89.77 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 395.16815 |
| Heavy Atoms | 28 |
| Complexity | 793.0832 |
Chemical Identifiers
| CAS Number | 58892-48-1 |
|---|---|
| SMILES | C1CN(CCN1CCO)C2=NC(=NC(=N2)N/N=C/C3=CC=CC=C3)C(F)(F)F |
Product Overview
RefChem:1077806 (CAS 58892-48-1), with molecular formula C17H20F3N7O and molecular weight 395.17 g/mol. IUPAC: 2-[4-[4-[(2E)-2-benzylidenehydrazinyl]-6-(trifluoromethyl)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol.
Chemical Property Profile of RefChem:1077806
Property Insights of RefChem:1077806
The XLogP value of 1.4507 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1077806. The TPSA of 89.77 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1077806. Following Lipinski's Rule of Five, RefChem:1077806 has 2 hydrogen bond donor(s) and 8 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 RefChem:1077806?
The CAS number of RefChem:1077806 is 58892-48-1.
What is the molecular formula of RefChem:1077806?
The molecular formula of RefChem:1077806 is C17H20F3N7O.
What is the molecular weight of RefChem:1077806?
The molecular weight of RefChem:1077806 is 395.17 g/mol.
Where can I buy RefChem:1077806?
You can request a quote for RefChem:1077806 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1077806?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1077806 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.