N-((4-(3,4-dichlorophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)-4-(N,N-dipropylsulfamoyl)benzamide
TL;DR: N-((4-(3,4-dichlorophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)-4-(N,N-dipropylsulfamoyl)benzamide (CAS 392247-60-8) is a chemical compound with molecular formula C22H25Cl2N5O3S2 and molecular weight 541.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-(3,4-dichlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-4-(dipropylsulfamoyl)benzamide
Also Known As: N-((4-(3,4-dichlorophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)-4-(N,N-dipropylsulfamoyl)benzamide, N-{[4-(3,4-dichlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-4-(dipropylsulfamoyl)benzamide, N-[[4-(3,4-dichlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-4-(dipropylsulfamoyl)benzamide, p-({[4-(3,4-dichlorophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}carbamoyl)phenyl(dipropylamino)(oxo)-lambda-sulfaniumolate
| Molecular Formula | C22H25Cl2N5O3S2 |
|---|---|
| Molecular Weight | 541.08 g/mol |
| LogP | 4.97739 |
| Topological Polar Surface Area | 100.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 541.0776 |
| Heavy Atoms | 34 |
| Complexity | 1315.0531 |
Chemical Identifiers
| CAS Number | 392247-60-8 |
|---|---|
| SMILES | CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NCC2=NNC(=S)N2C3=CC(=C(C=C3)Cl)Cl |
Product Overview
N-((4-(3,4-dichlorophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)-4-(N,N-dipropylsulfamoyl)benzamide (CAS 392247-60-8), with molecular formula C22H25Cl2N5O3S2 and molecular weight 541.08 g/mol. IUPAC: N-[[4-(3,4-dichlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-4-(dipropylsulfamoyl)benzamide.
Chemical Property Profile of N-((4-(3,4-dichlorophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)-4-(N,N-dipropylsulfamoyl)benzamide
Property Insights of N-((4-(3,4-dichlorophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)-4-(N,N-dipropylsulfamoyl)benzamide
The XLogP value of 4.97739 indicates that N-((4-(3,4-dichlorophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)-4-(N,N-dipropylsulfamoyl)benzamide 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 N-((4-(3,4-dichlorophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)-4-(N,N-dipropylsulfamoyl)benzamide. Following Lipinski's Rule of Five, N-((4-(3,4-dichlorophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)-4-(N,N-dipropylsulfamoyl)benzamide 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 N-((4-(3,4-dichlorophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)-4-(N,N-dipropylsulfamoyl)benzamide?
The CAS number of N-((4-(3,4-dichlorophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)-4-(N,N-dipropylsulfamoyl)benzamide is 392247-60-8.
What is the molecular formula of N-((4-(3,4-dichlorophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)-4-(N,N-dipropylsulfamoyl)benzamide?
The molecular formula of N-((4-(3,4-dichlorophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)-4-(N,N-dipropylsulfamoyl)benzamide is C22H25Cl2N5O3S2.
What is the molecular weight of N-((4-(3,4-dichlorophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)-4-(N,N-dipropylsulfamoyl)benzamide?
The molecular weight of N-((4-(3,4-dichlorophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)-4-(N,N-dipropylsulfamoyl)benzamide is 541.08 g/mol.
Where can I buy N-((4-(3,4-dichlorophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)-4-(N,N-dipropylsulfamoyl)benzamide?
You can request a quote for N-((4-(3,4-dichlorophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)-4-(N,N-dipropylsulfamoyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-((4-(3,4-dichlorophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)-4-(N,N-dipropylsulfamoyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-((4-(3,4-dichlorophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)-4-(N,N-dipropylsulfamoyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.