F0475-0066
TL;DR: F0475-0066 (CAS 391886-53-6) is a chemical compound with molecular formula C16H12BrN5O3S and molecular weight 432.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-4-nitrobenzamide
Also Known As: F0475-0066, N-{[4-(4-bromophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-4-nitrobenzamide, N-((4-(4-bromophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)-4-nitrobenzamide, N-[[4-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-4-nitrobenzamide, N-[[4-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-4-nitro-benzamide
| Molecular Formula | C16H12BrN5O3S |
|---|---|
| Molecular Weight | 432.98 g/mol |
| LogP | 3.53059 |
| Topological Polar Surface Area | 105.85 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 432.9844 |
| Heavy Atoms | 26 |
| Complexity | 1011.6145 |
Chemical Identifiers
| CAS Number | 391886-53-6 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)NCC2=NNC(=S)N2C3=CC=C(C=C3)Br)[N+](=O)[O-] |
Product Overview
F0475-0066 (CAS 391886-53-6), with molecular formula C16H12BrN5O3S and molecular weight 432.98 g/mol. IUPAC: N-[[4-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-4-nitrobenzamide.
Chemical Property Profile of F0475-0066
Property Insights of F0475-0066
The XLogP value of 3.53059 indicates that F0475-0066 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.85 Ų falls within the moderate polarity range, balancing permeability and solubility for F0475-0066. Following Lipinski's Rule of Five, F0475-0066 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0475-0066?
The CAS number of F0475-0066 is 391886-53-6.
What is the molecular formula of F0475-0066?
The molecular formula of F0475-0066 is C16H12BrN5O3S.
What is the molecular weight of F0475-0066?
The molecular weight of F0475-0066 is 432.98 g/mol.
Where can I buy F0475-0066?
You can request a quote for F0475-0066 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0475-0066?
Yes, KEHONG BIO provides custom synthesis services for F0475-0066 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.