F0507-4874
TL;DR: F0507-4874 (CAS 391941-02-9) is a chemical compound with molecular formula C25H20ClFN6O4S and molecular weight 554.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-(3-chlorophenyl)-5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4-methyl-3-nitrobenzamide
Also Known As: F0507-4874, N-{[4-(3-chlorophenyl)-5-({[(2-fluorophenyl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-methyl-3-nitrobenzamide, N-((4-(3-chlorophenyl)-5-((2-((2-fluorophenyl)amino)-2-oxoethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)-4-methyl-3-nitrobenzamide, N-[[4-(3-chlorophenyl)-5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4-methyl-3-nitrobenzamide
| Molecular Formula | C25H20ClFN6O4S |
|---|---|
| Molecular Weight | 554.09 g/mol |
| LogP | 4.93722 |
| Topological Polar Surface Area | 132.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 554.09393 |
| Heavy Atoms | 38 |
| Complexity | 1529.4867 |
Chemical Identifiers
| CAS Number | 391941-02-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)NCC2=NN=C(N2C3=CC(=CC=C3)Cl)SCC(=O)NC4=CC=CC=C4F)[N+](=O)[O-] |
Product Overview
F0507-4874 (CAS 391941-02-9), with molecular formula C25H20ClFN6O4S and molecular weight 554.09 g/mol. IUPAC: N-[[4-(3-chlorophenyl)-5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4-methyl-3-nitrobenzamide.
Chemical Property Profile of F0507-4874
Property Insights of F0507-4874
The XLogP value of 4.93722 indicates that F0507-4874 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.05 Ų falls within the moderate polarity range, balancing permeability and solubility for F0507-4874. Following Lipinski's Rule of Five, F0507-4874 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0507-4874?
The CAS number of F0507-4874 is 391941-02-9.
What is the molecular formula of F0507-4874?
The molecular formula of F0507-4874 is C25H20ClFN6O4S.
What is the molecular weight of F0507-4874?
The molecular weight of F0507-4874 is 554.09 g/mol.
Where can I buy F0507-4874?
You can request a quote for F0507-4874 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0507-4874?
Yes, KEHONG BIO provides custom synthesis services for F0507-4874 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.