F0508-4031
TL;DR: F0508-4031 (CAS 392681-27-5) is a chemical compound with molecular formula C29H29F3N6O4S2 and molecular weight 646.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(diethylsulfamoyl)-N-[[5-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]benzamide
Also Known As: F0508-4031, 4-(diethylsulfamoyl)-N-({4-phenyl-5-[({[2-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)benzamide, 4-(N,N-diethylsulfamoyl)-N-((5-((2-oxo-2-((2-(trifluoromethyl)phenyl)amino)ethyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)benzamide, 4-(diethylsulfamoyl)-N-[[5-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]benzamide
| Molecular Formula | C29H29F3N6O4S2 |
|---|---|
| Molecular Weight | 646.16 g/mol |
| LogP | 4.9774 |
| Topological Polar Surface Area | 126.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 646.16437 |
| Heavy Atoms | 44 |
| Complexity | 1709.1321 |
Chemical Identifiers
| CAS Number | 392681-27-5 |
|---|---|
| SMILES | CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC=CC=C4C(F)(F)F |
Product Overview
F0508-4031 (CAS 392681-27-5), with molecular formula C29H29F3N6O4S2 and molecular weight 646.16 g/mol. IUPAC: 4-(diethylsulfamoyl)-N-[[5-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]benzamide.
Chemical Property Profile of F0508-4031
Property Insights of F0508-4031
The XLogP value of 4.9774 indicates that F0508-4031 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.29 Ų falls within the moderate polarity range, balancing permeability and solubility for F0508-4031. Following Lipinski's Rule of Five, F0508-4031 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 F0508-4031?
The CAS number of F0508-4031 is 392681-27-5.
What is the molecular formula of F0508-4031?
The molecular formula of F0508-4031 is C29H29F3N6O4S2.
What is the molecular weight of F0508-4031?
The molecular weight of F0508-4031 is 646.16 g/mol.
Where can I buy F0508-4031?
You can request a quote for F0508-4031 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0508-4031?
Yes, KEHONG BIO provides custom synthesis services for F0508-4031 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.