F0475-0139
TL;DR: F0475-0139 (CAS 391886-88-7) is a chemical compound with molecular formula C21H21F3N4O2S and molecular weight 450.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-butoxy-N-[[5-sulfanylidene-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]methyl]benzamide
Also Known As: F0475-0139, 4-butoxy-N-((5-thioxo-4-(3-(trifluoromethyl)phenyl)-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)benzamide, 4-butoxy-N-({5-sulfanylidene-4-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-3-yl}methyl)benzamide, 4-butoxy-N-[[5-sulfanylidene-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]methyl]benzamide, N-({5-thioxo-4-[m-(trifluoromethyl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-3-yl}methyl)p-butoxybenzamide
| Molecular Formula | C21H21F3N4O2S |
|---|---|
| Molecular Weight | 450.13 g/mol |
| LogP | 5.05759 |
| Topological Polar Surface Area | 71.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 450.13373 |
| Heavy Atoms | 31 |
| Complexity | 1090.9946 |
Chemical Identifiers
| CAS Number | 391886-88-7 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)C(=O)NCC2=NNC(=S)N2C3=CC=CC(=C3)C(F)(F)F |
Product Overview
F0475-0139 (CAS 391886-88-7), with molecular formula C21H21F3N4O2S and molecular weight 450.13 g/mol. IUPAC: 4-butoxy-N-[[5-sulfanylidene-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]methyl]benzamide.
Chemical Property Profile of F0475-0139
Property Insights of F0475-0139
The XLogP value of 5.05759 indicates that F0475-0139 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.94 Ų falls within the moderate polarity range, balancing permeability and solubility for F0475-0139. Following Lipinski's Rule of Five, F0475-0139 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0475-0139?
The CAS number of F0475-0139 is 391886-88-7.
What is the molecular formula of F0475-0139?
The molecular formula of F0475-0139 is C21H21F3N4O2S.
What is the molecular weight of F0475-0139?
The molecular weight of F0475-0139 is 450.13 g/mol.
Where can I buy F0475-0139?
You can request a quote for F0475-0139 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0475-0139?
Yes, KEHONG BIO provides custom synthesis services for F0475-0139 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.