F0514-0713
TL;DR: F0514-0713 (CAS 393583-16-9) is a chemical compound with molecular formula C28H23BrFN7O4S and molecular weight 651.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-[2-[5-(4-bromophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-4-nitrobenzamide
Also Known As: F0514-0713, N-((5-((2-(3-(4-bromophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-oxoethyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)methyl)-4-nitrobenzamide, N-{[5-({2-[3-(4-bromophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}-4-nitrobenzamide, N-[[5-[2-[5-(4-bromophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-4-nitrobenzamide, N-[(5-{2-[3-(p-bromophenyl)-5-(p-fluorophenyl)-2-pyrazolin-1-yl]-2-oxoethylthio}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]p-nitrobenzamide
| Molecular Formula | C28H23BrFN7O4S |
|---|---|
| Molecular Weight | 651.07 g/mol |
| LogP | 5.0249 |
| Topological Polar Surface Area | 135.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 651.06995 |
| Heavy Atoms | 42 |
| Complexity | 1661.277 |
Chemical Identifiers
| CAS Number | 393583-16-9 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)N2C(CC(=N2)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)F)CNC(=O)C5=CC=C(C=C5)[N+](=O)[O-] |
Product Overview
F0514-0713 (CAS 393583-16-9), with molecular formula C28H23BrFN7O4S and molecular weight 651.07 g/mol. IUPAC: N-[[5-[2-[5-(4-bromophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-4-nitrobenzamide.
Chemical Property Profile of F0514-0713
Property Insights of F0514-0713
The XLogP value of 5.0249 indicates that F0514-0713 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.62 Ų falls within the moderate polarity range, balancing permeability and solubility for F0514-0713. Following Lipinski's Rule of Five, F0514-0713 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0514-0713?
The CAS number of F0514-0713 is 393583-16-9.
What is the molecular formula of F0514-0713?
The molecular formula of F0514-0713 is C28H23BrFN7O4S.
What is the molecular weight of F0514-0713?
The molecular weight of F0514-0713 is 651.07 g/mol.
Where can I buy F0514-0713?
You can request a quote for F0514-0713 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0514-0713?
Yes, KEHONG BIO provides custom synthesis services for F0514-0713 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.