F0514-4110
TL;DR: F0514-4110 (CAS 393585-28-9) is a chemical compound with molecular formula C32H26FN7O5S2 and molecular weight 671.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]-2-phenoxyacetamide
Also Known As: F0514-4110, N-{[5-({2-[5-(4-fluorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}-2-phenoxyacetamide, N-((5-((2-(5-(4-fluorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)-2-oxoethyl)thio)-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl)methyl)-2-phenoxyacetamide, N-[[5-[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]-2-phenoxyacetamide
| Molecular Formula | C32H26FN7O5S2 |
|---|---|
| Molecular Weight | 671.14 g/mol |
| LogP | 5.5413 |
| Topological Polar Surface Area | 144.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 671.1421 |
| Heavy Atoms | 47 |
| Complexity | 1900.543 |
Chemical Identifiers
| CAS Number | 393585-28-9 |
|---|---|
| SMILES | C1C(N(N=C1C2=CC=CS2)C(=O)CSC3=NN=C(N3C4=CC=C(C=C4)[N+](=O)[O-])CNC(=O)COC5=CC=CC=C5)C6=CC=C(C=C6)F |
Product Overview
F0514-4110 (CAS 393585-28-9), with molecular formula C32H26FN7O5S2 and molecular weight 671.14 g/mol. IUPAC: N-[[5-[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]-2-phenoxyacetamide.
Chemical Property Profile of F0514-4110
Property Insights of F0514-4110
The XLogP value of 5.5413 indicates that F0514-4110 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 144.85 Ų indicates high polarity, suggesting F0514-4110 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, F0514-4110 has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0514-4110?
The CAS number of F0514-4110 is 393585-28-9.
What is the molecular formula of F0514-4110?
The molecular formula of F0514-4110 is C32H26FN7O5S2.
What is the molecular weight of F0514-4110?
The molecular weight of F0514-4110 is 671.14 g/mol.
Where can I buy F0514-4110?
You can request a quote for F0514-4110 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0514-4110?
Yes, KEHONG BIO provides custom synthesis services for F0514-4110 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.