F0507-4845
TL;DR: F0507-4845 (CAS 391940-80-0) is a chemical compound with molecular formula C24H20BrN5O3S and molecular weight 537.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-[(4-bromophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-methyl-3-nitrobenzamide
Also Known As: F0507-4845, N-((5-((4-bromobenzyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)-4-methyl-3-nitrobenzamide, N-[(5-{[(4-bromophenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]-4-methyl-3-nitrobenzamide, N-[[5-[(4-bromophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-methyl-3-nitrobenzamide, N-({5-[(p-bromophenyl)methylthio]-4-phenyl-4H-1,2,4-triazol-3-yl}methyl)-2-nitro-4-toluamide
| Molecular Formula | C24H20BrN5O3S |
|---|---|
| Molecular Weight | 537.05 g/mol |
| LogP | 5.46872 |
| Topological Polar Surface Area | 102.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 537.047 |
| Heavy Atoms | 34 |
| Complexity | 1326.4552 |
Chemical Identifiers
| CAS Number | 391940-80-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)NCC2=NN=C(N2C3=CC=CC=C3)SCC4=CC=C(C=C4)Br)[N+](=O)[O-] |
Product Overview
F0507-4845 (CAS 391940-80-0), with molecular formula C24H20BrN5O3S and molecular weight 537.05 g/mol. IUPAC: N-[[5-[(4-bromophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-methyl-3-nitrobenzamide.
Chemical Property Profile of F0507-4845
Property Insights of F0507-4845
The XLogP value of 5.46872 indicates that F0507-4845 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.95 Ų falls within the moderate polarity range, balancing permeability and solubility for F0507-4845. Following Lipinski's Rule of Five, F0507-4845 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0507-4845?
The CAS number of F0507-4845 is 391940-80-0.
What is the molecular formula of F0507-4845?
The molecular formula of F0507-4845 is C24H20BrN5O3S.
What is the molecular weight of F0507-4845?
The molecular weight of F0507-4845 is 537.05 g/mol.
Where can I buy F0507-4845?
You can request a quote for F0507-4845 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0507-4845?
Yes, KEHONG BIO provides custom synthesis services for F0507-4845 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.