F0475-0416
TL;DR: F0475-0416 (CAS 391888-40-7) is a chemical compound with molecular formula C20H22BrN5O3S2 and molecular weight 523.03 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-(diethylsulfamoyl)benzamide
Also Known As: F0475-0416, N-{[4-(4-bromophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-4-(diethylsulfamoyl)benzamide, N-((4-(4-bromophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)-4-(N,N-diethylsulfamoyl)benzamide, N-[[4-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-4-(diethylsulfamoyl)benzamide
| Molecular Formula | C20H22BrN5O3S2 |
|---|---|
| Molecular Weight | 523.03 g/mol |
| LogP | 3.65289 |
| Topological Polar Surface Area | 100.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 523.0347 |
| Heavy Atoms | 31 |
| Complexity | 1214.9513 |
Chemical Identifiers
| CAS Number | 391888-40-7 |
|---|---|
| SMILES | CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NCC2=NNC(=S)N2C3=CC=C(C=C3)Br |
Product Overview
F0475-0416 (CAS 391888-40-7), with molecular formula C20H22BrN5O3S2 and molecular weight 523.03 g/mol. IUPAC: N-[[4-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-4-(diethylsulfamoyl)benzamide.
Chemical Property Profile of F0475-0416
Property Insights of F0475-0416
The XLogP value of 3.65289 indicates that F0475-0416 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.09 Ų falls within the moderate polarity range, balancing permeability and solubility for F0475-0416. Following Lipinski's Rule of Five, F0475-0416 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0475-0416?
The CAS number of F0475-0416 is 391888-40-7.
What is the molecular formula of F0475-0416?
The molecular formula of F0475-0416 is C20H22BrN5O3S2.
What is the molecular weight of F0475-0416?
The molecular weight of F0475-0416 is 523.03 g/mol.
Where can I buy F0475-0416?
You can request a quote for F0475-0416 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0475-0416?
Yes, KEHONG BIO provides custom synthesis services for F0475-0416 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.