![2,4-diethyl 5-{2-[(4-benzyl-5-{[(4-methyl-3-nitrophenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-3-methylthiophene-2,4-dicarboxylate structure](/static/products/3938/393815-19-5.webp)
2,4-diethyl 5-{2-[(4-benzyl-5-{[(4-methyl-3-nitrophenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-3-methylthiophene-2,4-dicarboxylate
TL;DR: 2,4-diethyl 5-{2-[(4-benzyl-5-{[(4-methyl-3-nitrophenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-3-methylthiophene-2,4-dicarboxylate (CAS 393815-19-5) is a chemical compound with molecular formula C32H34N6O8S2 and molecular weight 694.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 5-[2-[[4-benzyl-5-[[(4-methyl-3-nitrobenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-3-methylthiophene-2,4-dicarboxylate
Also Known As: 2,4-diethyl 5-{2-[(4-benzyl-5-{[(4-methyl-3-nitrophenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-3-methylthiophene-2,4-dicarboxylate, F0520-2480, diethyl 5-(2-((4-benzyl-5-((4-methyl-3-nitrobenzamido)methyl)-4H-1,2,4-triazol-3-yl)thio)propanamido)-3-methylthiophene-2,4-dicarboxylate, diethyl 5-[2-[[4-benzyl-5-[[(4-methyl-3-nitrobenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-3-methylthiophene-2,4-dicarboxylate
| Molecular Formula | C32H34N6O8S2 |
|---|---|
| Molecular Weight | 694.19 g/mol |
| LogP | 5.31564 |
| Topological Polar Surface Area | 184.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 14 |
| Exact Mass | 694.1879 |
| Heavy Atoms | 48 |
| Complexity | 1839.2343 |
Chemical Identifiers
| CAS Number | 393815-19-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C(C)SC2=NN=C(N2CC3=CC=CC=C3)CNC(=O)C4=CC(=C(C=C4)C)[N+](=O)[O-] |
Product Overview
2,4-diethyl 5-{2-[(4-benzyl-5-{[(4-methyl-3-nitrophenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-3-methylthiophene-2,4-dicarboxylate (CAS 393815-19-5), with molecular formula C32H34N6O8S2 and molecular weight 694.19 g/mol. IUPAC: diethyl 5-[2-[[4-benzyl-5-[[(4-methyl-3-nitrobenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-3-methylthiophene-2,4-dicarboxylate.
Chemical Property Profile of 2,4-diethyl 5-{2-[(4-benzyl-5-{[(4-methyl-3-nitrophenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-3-methylthiophene-2,4-dicarboxylate
Property Insights of 2,4-diethyl 5-{2-[(4-benzyl-5-{[(4-methyl-3-nitrophenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-3-methylthiophene-2,4-dicarboxylate
The XLogP value of 5.31564 indicates that 2,4-diethyl 5-{2-[(4-benzyl-5-{[(4-methyl-3-nitrophenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-3-methylthiophene-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 2,4-diethyl 5-{2-[(4-benzyl-5-{[(4-methyl-3-nitrophenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-3-methylthiophene-2,4-dicarboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,4-diethyl 5-{2-[(4-benzyl-5-{[(4-methyl-3-nitrophenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-3-methylthiophene-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 2,4-diethyl 5-{2-[(4-benzyl-5-{[(4-methyl-3-nitrophenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-3-methylthiophene-2,4-dicarboxylate?
The CAS number of 2,4-diethyl 5-{2-[(4-benzyl-5-{[(4-methyl-3-nitrophenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-3-methylthiophene-2,4-dicarboxylate is 393815-19-5.
What is the molecular formula of 2,4-diethyl 5-{2-[(4-benzyl-5-{[(4-methyl-3-nitrophenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-3-methylthiophene-2,4-dicarboxylate?
The molecular formula of 2,4-diethyl 5-{2-[(4-benzyl-5-{[(4-methyl-3-nitrophenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-3-methylthiophene-2,4-dicarboxylate is C32H34N6O8S2.
What is the molecular weight of 2,4-diethyl 5-{2-[(4-benzyl-5-{[(4-methyl-3-nitrophenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-3-methylthiophene-2,4-dicarboxylate?
The molecular weight of 2,4-diethyl 5-{2-[(4-benzyl-5-{[(4-methyl-3-nitrophenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-3-methylthiophene-2,4-dicarboxylate is 694.19 g/mol.
Where can I buy 2,4-diethyl 5-{2-[(4-benzyl-5-{[(4-methyl-3-nitrophenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-3-methylthiophene-2,4-dicarboxylate?
You can request a quote for 2,4-diethyl 5-{2-[(4-benzyl-5-{[(4-methyl-3-nitrophenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-3-methylthiophene-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 2,4-diethyl 5-{2-[(4-benzyl-5-{[(4-methyl-3-nitrophenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-3-methylthiophene-2,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2,4-diethyl 5-{2-[(4-benzyl-5-{[(4-methyl-3-nitrophenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-3-methylthiophene-2,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.