![ethyl 4-(2-{[5-({[4-(dimethylsulfamoyl)phenyl]formamido}methyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate structure](/static/products/3104/310449-09-3.webp)
ethyl 4-(2-{[5-({[4-(dimethylsulfamoyl)phenyl]formamido}methyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
TL;DR: ethyl 4-(2-{[5-({[4-(dimethylsulfamoyl)phenyl]formamido}methyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate (CAS 310449-09-3) is a chemical compound with molecular formula C30H32N6O6S2 and molecular weight 636.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[[5-[[[4-(dimethylsulfamoyl)benzoyl]amino]methyl]-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: ethyl 4-(2-{[5-({[4-(dimethylsulfamoyl)phenyl]formamido}methyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate, F0721-0727, ethyl 4-(2-((5-((4-(N,N-dimethylsulfamoyl)benzamido)methyl)-4-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate, ethyl 4-[[2-[[5-[[[4-(dimethylsulfamoyl)benzoyl]amino]methyl]-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
| Molecular Formula | C30H32N6O6S2 |
|---|---|
| Molecular Weight | 636.18 g/mol |
| LogP | 3.66352 |
| Topological Polar Surface Area | 152.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 12 |
| Exact Mass | 636.1825 |
| Heavy Atoms | 44 |
| Complexity | 1753.5219 |
Chemical Identifiers
| CAS Number | 310449-09-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC(=C3)C)CNC(=O)C4=CC=C(C=C4)S(=O)(=O)N(C)C |
Product Overview
ethyl 4-(2-{[5-({[4-(dimethylsulfamoyl)phenyl]formamido}methyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate (CAS 310449-09-3), with molecular formula C30H32N6O6S2 and molecular weight 636.18 g/mol. IUPAC: ethyl 4-[[2-[[5-[[[4-(dimethylsulfamoyl)benzoyl]amino]methyl]-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of ethyl 4-(2-{[5-({[4-(dimethylsulfamoyl)phenyl]formamido}methyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
Property Insights of ethyl 4-(2-{[5-({[4-(dimethylsulfamoyl)phenyl]formamido}methyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
The XLogP value of 3.66352 indicates that ethyl 4-(2-{[5-({[4-(dimethylsulfamoyl)phenyl]formamido}methyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 152.59 Ų indicates high polarity, suggesting ethyl 4-(2-{[5-({[4-(dimethylsulfamoyl)phenyl]formamido}methyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ethyl 4-(2-{[5-({[4-(dimethylsulfamoyl)phenyl]formamido}methyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 4-(2-{[5-({[4-(dimethylsulfamoyl)phenyl]formamido}methyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate?
The CAS number of ethyl 4-(2-{[5-({[4-(dimethylsulfamoyl)phenyl]formamido}methyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate is 310449-09-3.
What is the molecular formula of ethyl 4-(2-{[5-({[4-(dimethylsulfamoyl)phenyl]formamido}methyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate?
The molecular formula of ethyl 4-(2-{[5-({[4-(dimethylsulfamoyl)phenyl]formamido}methyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate is C30H32N6O6S2.
What is the molecular weight of ethyl 4-(2-{[5-({[4-(dimethylsulfamoyl)phenyl]formamido}methyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate?
The molecular weight of ethyl 4-(2-{[5-({[4-(dimethylsulfamoyl)phenyl]formamido}methyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate is 636.18 g/mol.
Where can I buy ethyl 4-(2-{[5-({[4-(dimethylsulfamoyl)phenyl]formamido}methyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate?
You can request a quote for ethyl 4-(2-{[5-({[4-(dimethylsulfamoyl)phenyl]formamido}methyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-(2-{[5-({[4-(dimethylsulfamoyl)phenyl]formamido}methyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-(2-{[5-({[4-(dimethylsulfamoyl)phenyl]formamido}methyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.