diethyl 3-methyl-5-(2-((5-((4-methyl-3-nitrobenzamido)methyl)-4-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)thiophene-2,4-dicarboxylate
TL;DR: diethyl 3-methyl-5-(2-((5-((4-methyl-3-nitrobenzamido)methyl)-4-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)thiophene-2,4-dicarboxylate (CAS 393850-22-1) is a chemical compound with molecular formula C31H32N6O8S2 and molecular weight 680.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 3-methyl-5-[[2-[[5-[[(4-methyl-3-nitrobenzoyl)amino]methyl]-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]thiophene-2,4-dicarboxylate
Also Known As: diethyl 3-methyl-5-(2-((5-((4-methyl-3-nitrobenzamido)methyl)-4-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)thiophene-2,4-dicarboxylate, F0520-0505, diethyl 3-methyl-5-[[2-[[5-[[(4-methyl-3-nitrobenzoyl)amino]methyl]-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]thiophene-2,4-dicarboxylate, 2,4-DIETHYL 3-METHYL-5-{2-[(5-{[(4-METHYL-3-NITROPHENYL)FORMAMIDO]METHYL}-4-(3-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]ACETAMIDO}THIOPHENE-2,4-DICARBOXYLATE
| Molecular Formula | C31H32N6O8S2 |
|---|---|
| Molecular Weight | 680.17 g/mol |
| LogP | 5.17646 |
| Topological Polar Surface Area | 184.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 13 |
| Exact Mass | 680.1723 |
| Heavy Atoms | 47 |
| Complexity | 1851.1367 |
Chemical Identifiers
| CAS Number | 393850-22-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CSC2=NN=C(N2C3=CC=CC(=C3)C)CNC(=O)C4=CC(=C(C=C4)C)[N+](=O)[O-] |
Product Overview
diethyl 3-methyl-5-(2-((5-((4-methyl-3-nitrobenzamido)methyl)-4-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)thiophene-2,4-dicarboxylate (CAS 393850-22-1), with molecular formula C31H32N6O8S2 and molecular weight 680.17 g/mol. IUPAC: diethyl 3-methyl-5-[[2-[[5-[[(4-methyl-3-nitrobenzoyl)amino]methyl]-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]thiophene-2,4-dicarboxylate.
Chemical Property Profile of diethyl 3-methyl-5-(2-((5-((4-methyl-3-nitrobenzamido)methyl)-4-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)thiophene-2,4-dicarboxylate
Property Insights of diethyl 3-methyl-5-(2-((5-((4-methyl-3-nitrobenzamido)methyl)-4-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)thiophene-2,4-dicarboxylate
The XLogP value of 5.17646 indicates that diethyl 3-methyl-5-(2-((5-((4-methyl-3-nitrobenzamido)methyl)-4-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)thiophene-2,4-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 184.65 Ų indicates high polarity, suggesting diethyl 3-methyl-5-(2-((5-((4-methyl-3-nitrobenzamido)methyl)-4-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)thiophene-2,4-dicarboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, diethyl 3-methyl-5-(2-((5-((4-methyl-3-nitrobenzamido)methyl)-4-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)thiophene-2,4-dicarboxylate has 2 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of diethyl 3-methyl-5-(2-((5-((4-methyl-3-nitrobenzamido)methyl)-4-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)thiophene-2,4-dicarboxylate?
The CAS number of diethyl 3-methyl-5-(2-((5-((4-methyl-3-nitrobenzamido)methyl)-4-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)thiophene-2,4-dicarboxylate is 393850-22-1.
What is the molecular formula of diethyl 3-methyl-5-(2-((5-((4-methyl-3-nitrobenzamido)methyl)-4-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)thiophene-2,4-dicarboxylate?
The molecular formula of diethyl 3-methyl-5-(2-((5-((4-methyl-3-nitrobenzamido)methyl)-4-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)thiophene-2,4-dicarboxylate is C31H32N6O8S2.
What is the molecular weight of diethyl 3-methyl-5-(2-((5-((4-methyl-3-nitrobenzamido)methyl)-4-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)thiophene-2,4-dicarboxylate?
The molecular weight of diethyl 3-methyl-5-(2-((5-((4-methyl-3-nitrobenzamido)methyl)-4-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)thiophene-2,4-dicarboxylate is 680.17 g/mol.
Where can I buy diethyl 3-methyl-5-(2-((5-((4-methyl-3-nitrobenzamido)methyl)-4-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)thiophene-2,4-dicarboxylate?
You can request a quote for diethyl 3-methyl-5-(2-((5-((4-methyl-3-nitrobenzamido)methyl)-4-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)thiophene-2,4-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for diethyl 3-methyl-5-(2-((5-((4-methyl-3-nitrobenzamido)methyl)-4-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)thiophene-2,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for diethyl 3-methyl-5-(2-((5-((4-methyl-3-nitrobenzamido)methyl)-4-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)thiophene-2,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.