F0475-0069
TL;DR: F0475-0069 (CAS 391886-56-9) is a chemical compound with molecular formula C17H12F3N5O3S and molecular weight 423.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitro-N-[[5-sulfanylidene-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]methyl]benzamide
Also Known As: F0475-0069, 4-nitro-N-((5-thioxo-4-(3-(trifluoromethyl)phenyl)-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)benzamide, 4-nitro-N-({5-sulfanylidene-4-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-3-yl}methyl)benzamide, 4-nitro-N-[[5-sulfanylidene-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]methyl]benzamide
| Molecular Formula | C17H12F3N5O3S |
|---|---|
| Molecular Weight | 423.06 g/mol |
| LogP | 3.78689 |
| Topological Polar Surface Area | 105.85 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 423.0613 |
| Heavy Atoms | 29 |
| Complexity | 1122.3324 |
Chemical Identifiers
| CAS Number | 391886-56-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)N2C(=NNC2=S)CNC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(F)(F)F |
Product Overview
F0475-0069 (CAS 391886-56-9), with molecular formula C17H12F3N5O3S and molecular weight 423.06 g/mol. IUPAC: 4-nitro-N-[[5-sulfanylidene-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]methyl]benzamide.
Chemical Property Profile of F0475-0069
Property Insights of F0475-0069
The XLogP value of 3.78689 indicates that F0475-0069 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.85 Ų falls within the moderate polarity range, balancing permeability and solubility for F0475-0069. Following Lipinski's Rule of Five, F0475-0069 has 2 hydrogen bond donor(s) and 5 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 F0475-0069?
The CAS number of F0475-0069 is 391886-56-9.
What is the molecular formula of F0475-0069?
The molecular formula of F0475-0069 is C17H12F3N5O3S.
What is the molecular weight of F0475-0069?
The molecular weight of F0475-0069 is 423.06 g/mol.
Where can I buy F0475-0069?
You can request a quote for F0475-0069 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0475-0069?
Yes, KEHONG BIO provides custom synthesis services for F0475-0069 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.