ethyl 2-((5-((4-(N,N-dimethylsulfamoyl)benzamido)methyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetate
TL;DR: ethyl 2-((5-((4-(N,N-dimethylsulfamoyl)benzamido)methyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetate (CAS 689751-73-3) is a chemical compound with molecular formula C17H23N5O5S2 and molecular weight 441.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[5-[[[4-(dimethylsulfamoyl)benzoyl]amino]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: ethyl 2-((5-((4-(N,N-dimethylsulfamoyl)benzamido)methyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetate, ethyl 2-{[5-({[4-(dimethylsulfamoyl)phenyl]formamido}methyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate, ethyl 2-[[5-[[[4-(dimethylsulfamoyl)benzoyl]amino]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate, ethyl (5-{[p-(dimethylaminosulfonyl)benzylamino]methyl}-4-methyl-4H-1,2,4-triazol-3-ylthio)acetate
| Molecular Formula | C17H23N5O5S2 |
|---|---|
| Molecular Weight | 441.11 g/mol |
| LogP | 0.6506 |
| Topological Polar Surface Area | 123.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 441.11407 |
| Heavy Atoms | 29 |
| Complexity | 970.59985 |
Chemical Identifiers
| CAS Number | 689751-73-3 |
|---|---|
| SMILES | CCOC(=O)CSC1=NN=C(N1C)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C |
Product Overview
ethyl 2-((5-((4-(N,N-dimethylsulfamoyl)benzamido)methyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetate (CAS 689751-73-3), with molecular formula C17H23N5O5S2 and molecular weight 441.11 g/mol. IUPAC: ethyl 2-[[5-[[[4-(dimethylsulfamoyl)benzoyl]amino]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of ethyl 2-((5-((4-(N,N-dimethylsulfamoyl)benzamido)methyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetate
Property Insights of ethyl 2-((5-((4-(N,N-dimethylsulfamoyl)benzamido)methyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetate
The XLogP value of 0.6506 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-((5-((4-(N,N-dimethylsulfamoyl)benzamido)methyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetate. The TPSA of 123.49 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-((5-((4-(N,N-dimethylsulfamoyl)benzamido)methyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetate. Following Lipinski's Rule of Five, ethyl 2-((5-((4-(N,N-dimethylsulfamoyl)benzamido)methyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetate has 1 hydrogen bond donor(s) and 8 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 ethyl 2-((5-((4-(N,N-dimethylsulfamoyl)benzamido)methyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetate?
The CAS number of ethyl 2-((5-((4-(N,N-dimethylsulfamoyl)benzamido)methyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetate is 689751-73-3.
What is the molecular formula of ethyl 2-((5-((4-(N,N-dimethylsulfamoyl)benzamido)methyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetate?
The molecular formula of ethyl 2-((5-((4-(N,N-dimethylsulfamoyl)benzamido)methyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetate is C17H23N5O5S2.
What is the molecular weight of ethyl 2-((5-((4-(N,N-dimethylsulfamoyl)benzamido)methyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetate?
The molecular weight of ethyl 2-((5-((4-(N,N-dimethylsulfamoyl)benzamido)methyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetate is 441.11 g/mol.
Where can I buy ethyl 2-((5-((4-(N,N-dimethylsulfamoyl)benzamido)methyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetate?
You can request a quote for ethyl 2-((5-((4-(N,N-dimethylsulfamoyl)benzamido)methyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-((5-((4-(N,N-dimethylsulfamoyl)benzamido)methyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-((5-((4-(N,N-dimethylsulfamoyl)benzamido)methyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.