F0514-4108
TL;DR: F0514-4108 (CAS 393585-26-7) is a chemical compound with molecular formula C35H30FN7O6S and molecular weight 695.20 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-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]-2-phenoxyacetamide
Also Known As: F0514-4108, N-((5-((2-(5-(4-fluorophenyl)-3-(4-methoxyphenyl)-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-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]-2-phenoxyacetamide, N-{[5-({2-[5-(4-FLUOROPHENYL)-3-(4-METHOXYPHENYL)-4,5-DIHYDRO-1H-PYRAZOL-1-YL]-2-OXOETHYL}SULFANYL)-4-(4-NITROPHENYL)-4H-1,2,4-TRIAZOL-3-YL]METHYL}-2-PHENOXYACETAMIDE
| Molecular Formula | C35H30FN7O6S |
|---|---|
| Molecular Weight | 695.20 g/mol |
| LogP | 5.4884 |
| Topological Polar Surface Area | 154.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 13 |
| Exact Mass | 695.1962 |
| Heavy Atoms | 50 |
| Complexity | 2006.5957 |
Chemical Identifiers
| CAS Number | 393585-26-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=C(C=C3)F)C(=O)CSC4=NN=C(N4C5=CC=C(C=C5)[N+](=O)[O-])CNC(=O)COC6=CC=CC=C6 |
Product Overview
F0514-4108 (CAS 393585-26-7), with molecular formula C35H30FN7O6S and molecular weight 695.20 g/mol. IUPAC: N-[[5-[2-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]-2-phenoxyacetamide.
Chemical Property Profile of F0514-4108
Property Insights of F0514-4108
The XLogP value of 5.4884 indicates that F0514-4108 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 154.08 Ų indicates high polarity, suggesting F0514-4108 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, F0514-4108 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 F0514-4108?
The CAS number of F0514-4108 is 393585-26-7.
What is the molecular formula of F0514-4108?
The molecular formula of F0514-4108 is C35H30FN7O6S.
What is the molecular weight of F0514-4108?
The molecular weight of F0514-4108 is 695.20 g/mol.
Where can I buy F0514-4108?
You can request a quote for F0514-4108 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0514-4108?
Yes, KEHONG BIO provides custom synthesis services for F0514-4108 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.