F0475-0172
TL;DR: F0475-0172 (CAS 391887-14-2) is a chemical compound with molecular formula C17H12ClF3N4OS and molecular weight 412.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-(3-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-2-(trifluoromethyl)benzamide
Also Known As: F0475-0172, N-{[4-(3-chlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-2-(trifluoromethyl)benzamide, N-[[4-(3-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-2-(trifluoromethyl)benzamide, N-((4-(3-chlorophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)-2-(trifluoromethyl)benzamide
| Molecular Formula | C17H12ClF3N4OS |
|---|---|
| Molecular Weight | 412.04 g/mol |
| LogP | 4.53209 |
| Topological Polar Surface Area | 62.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 412.03723 |
| Heavy Atoms | 27 |
| Complexity | 1044.8981 |
Chemical Identifiers
| CAS Number | 391887-14-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)NCC2=NNC(=S)N2C3=CC(=CC=C3)Cl)C(F)(F)F |
Product Overview
F0475-0172 (CAS 391887-14-2), with molecular formula C17H12ClF3N4OS and molecular weight 412.04 g/mol. IUPAC: N-[[4-(3-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-2-(trifluoromethyl)benzamide.
Chemical Property Profile of F0475-0172
Property Insights of F0475-0172
The XLogP value of 4.53209 indicates that F0475-0172 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.71 Ų falls within the moderate polarity range, balancing permeability and solubility for F0475-0172. Following Lipinski's Rule of Five, F0475-0172 has 2 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 F0475-0172?
The CAS number of F0475-0172 is 391887-14-2.
What is the molecular formula of F0475-0172?
The molecular formula of F0475-0172 is C17H12ClF3N4OS.
What is the molecular weight of F0475-0172?
The molecular weight of F0475-0172 is 412.04 g/mol.
Where can I buy F0475-0172?
You can request a quote for F0475-0172 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0475-0172?
Yes, KEHONG BIO provides custom synthesis services for F0475-0172 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.