F2592-0047
TL;DR: F2592-0047 (CAS 749222-87-5) is a chemical compound with molecular formula C17H19F3N8O2S and molecular weight 456.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
Also Known As: F2592-0047, 2-{[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl}-N-[4-(trifluoromethoxy)phenyl]acetamide, 2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide, N-p-trifluoromethoxyphenyl[4,6-bis(ethylamino)-1,2,3a,5,7-pentaaza-3-indenylthio]acetamide, 2-((5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl)thio)-N-(4-(trifluoromethoxy)phenyl)acetamide
| Molecular Formula | C17H19F3N8O2S |
|---|---|
| Molecular Weight | 456.13 g/mol |
| LogP | 3.0123 |
| Topological Polar Surface Area | 118.36 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 456.13037 |
| Heavy Atoms | 31 |
| Complexity | 1042.273 |
Chemical Identifiers
| CAS Number | 749222-87-5 |
|---|---|
| SMILES | CCNC1=NC2=NN=C(N2C(=N1)NCC)SCC(=O)NC3=CC=C(C=C3)OC(F)(F)F |
Product Overview
F2592-0047 (CAS 749222-87-5), with molecular formula C17H19F3N8O2S and molecular weight 456.13 g/mol. IUPAC: 2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide.
Chemical Property Profile of F2592-0047
Property Insights of F2592-0047
The XLogP value of 3.0123 indicates that F2592-0047 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.36 Ų falls within the moderate polarity range, balancing permeability and solubility for F2592-0047. Following Lipinski's Rule of Five, F2592-0047 has 3 hydrogen bond donor(s) and 9 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 F2592-0047?
The CAS number of F2592-0047 is 749222-87-5.
What is the molecular formula of F2592-0047?
The molecular formula of F2592-0047 is C17H19F3N8O2S.
What is the molecular weight of F2592-0047?
The molecular weight of F2592-0047 is 456.13 g/mol.
Where can I buy F2592-0047?
You can request a quote for F2592-0047 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F2592-0047?
Yes, KEHONG BIO provides custom synthesis services for F2592-0047 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.