F0507-4854
TL;DR: F0507-4854 (CAS 391940-88-8) is a chemical compound with molecular formula C28H26N6O4S and molecular weight 542.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-methyl-3-nitrobenzamide
Also Known As: F0507-4854, 4-methyl-3-nitro-N-[(5-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]benzamide, N-((5-((2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)-4-methyl-3-nitrobenzamide, N-[[5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-methyl-3-nitrobenzamide
| Molecular Formula | C28H26N6O4S |
|---|---|
| Molecular Weight | 542.17 g/mol |
| LogP | 4.48542 |
| Topological Polar Surface Area | 123.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 542.17365 |
| Heavy Atoms | 39 |
| Complexity | 1538.3126 |
Chemical Identifiers
| CAS Number | 391940-88-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)NCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)N4CCCC5=CC=CC=C54)[N+](=O)[O-] |
Product Overview
F0507-4854 (CAS 391940-88-8), with molecular formula C28H26N6O4S and molecular weight 542.17 g/mol. IUPAC: N-[[5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-methyl-3-nitrobenzamide.
Chemical Property Profile of F0507-4854
Property Insights of F0507-4854
The XLogP value of 4.48542 indicates that F0507-4854 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.26 Ų falls within the moderate polarity range, balancing permeability and solubility for F0507-4854. Following Lipinski's Rule of Five, F0507-4854 has 1 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 F0507-4854?
The CAS number of F0507-4854 is 391940-88-8.
What is the molecular formula of F0507-4854?
The molecular formula of F0507-4854 is C28H26N6O4S.
What is the molecular weight of F0507-4854?
The molecular weight of F0507-4854 is 542.17 g/mol.
Where can I buy F0507-4854?
You can request a quote for F0507-4854 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0507-4854?
Yes, KEHONG BIO provides custom synthesis services for F0507-4854 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.