diethyl 5-(2-((5-((3,5-dimethoxybenzamido)methyl)-4-phenethyl-4H-1,2,4-triazol-3-yl)thio)acetamido)-3-methylthiophene-2,4-dicarboxylate
TL;DR: diethyl 5-(2-((5-((3,5-dimethoxybenzamido)methyl)-4-phenethyl-4H-1,2,4-triazol-3-yl)thio)acetamido)-3-methylthiophene-2,4-dicarboxylate (CAS 393814-10-3) is a chemical compound with molecular formula C33H37N5O8S2 and molecular weight 695.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 5-[[2-[[5-[[(3,5-dimethoxybenzoyl)amino]methyl]-4-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-methylthiophene-2,4-dicarboxylate
Also Known As: diethyl 5-(2-((5-((3,5-dimethoxybenzamido)methyl)-4-phenethyl-4H-1,2,4-triazol-3-yl)thio)acetamido)-3-methylthiophene-2,4-dicarboxylate, F0520-1920, diethyl 5-[[2-[[5-[[(3,5-dimethoxybenzoyl)amino]methyl]-4-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-methylthiophene-2,4-dicarboxylate, 2,4-DIETHYL 5-{2-[(5-{[(3,5-DIMETHOXYPHENYL)FORMAMIDO]METHYL}-4-(2-PHENYLETHYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]ACETAMIDO}-3-METHYLTHIOPHENE-2,4-DICARBOXYLATE, diethyl 5-[[2-[[5-[[(3,5-dimethoxybenzoyl)amino]methyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-methylthiophene-2,4-dicarboxylate
| Molecular Formula | C33H37N5O8S2 |
|---|---|
| Molecular Weight | 695.21 g/mol |
| LogP | 4.92212 |
| Topological Polar Surface Area | 159.97 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 16 |
| Exact Mass | 695.2084 |
| Heavy Atoms | 48 |
| Complexity | 1733.742 |
Chemical Identifiers
| CAS Number | 393814-10-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CSC2=NN=C(N2CCC3=CC=CC=C3)CNC(=O)C4=CC(=CC(=C4)OC)OC |
Product Overview
diethyl 5-(2-((5-((3,5-dimethoxybenzamido)methyl)-4-phenethyl-4H-1,2,4-triazol-3-yl)thio)acetamido)-3-methylthiophene-2,4-dicarboxylate (CAS 393814-10-3), with molecular formula C33H37N5O8S2 and molecular weight 695.21 g/mol. IUPAC: diethyl 5-[[2-[[5-[[(3,5-dimethoxybenzoyl)amino]methyl]-4-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-methylthiophene-2,4-dicarboxylate.
Chemical Property Profile of diethyl 5-(2-((5-((3,5-dimethoxybenzamido)methyl)-4-phenethyl-4H-1,2,4-triazol-3-yl)thio)acetamido)-3-methylthiophene-2,4-dicarboxylate
Property Insights of diethyl 5-(2-((5-((3,5-dimethoxybenzamido)methyl)-4-phenethyl-4H-1,2,4-triazol-3-yl)thio)acetamido)-3-methylthiophene-2,4-dicarboxylate
The XLogP value of 4.92212 indicates that diethyl 5-(2-((5-((3,5-dimethoxybenzamido)methyl)-4-phenethyl-4H-1,2,4-triazol-3-yl)thio)acetamido)-3-methylthiophene-2,4-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 159.97 Ų indicates high polarity, suggesting diethyl 5-(2-((5-((3,5-dimethoxybenzamido)methyl)-4-phenethyl-4H-1,2,4-triazol-3-yl)thio)acetamido)-3-methylthiophene-2,4-dicarboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, diethyl 5-(2-((5-((3,5-dimethoxybenzamido)methyl)-4-phenethyl-4H-1,2,4-triazol-3-yl)thio)acetamido)-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 diethyl 5-(2-((5-((3,5-dimethoxybenzamido)methyl)-4-phenethyl-4H-1,2,4-triazol-3-yl)thio)acetamido)-3-methylthiophene-2,4-dicarboxylate?
The CAS number of diethyl 5-(2-((5-((3,5-dimethoxybenzamido)methyl)-4-phenethyl-4H-1,2,4-triazol-3-yl)thio)acetamido)-3-methylthiophene-2,4-dicarboxylate is 393814-10-3.
What is the molecular formula of diethyl 5-(2-((5-((3,5-dimethoxybenzamido)methyl)-4-phenethyl-4H-1,2,4-triazol-3-yl)thio)acetamido)-3-methylthiophene-2,4-dicarboxylate?
The molecular formula of diethyl 5-(2-((5-((3,5-dimethoxybenzamido)methyl)-4-phenethyl-4H-1,2,4-triazol-3-yl)thio)acetamido)-3-methylthiophene-2,4-dicarboxylate is C33H37N5O8S2.
What is the molecular weight of diethyl 5-(2-((5-((3,5-dimethoxybenzamido)methyl)-4-phenethyl-4H-1,2,4-triazol-3-yl)thio)acetamido)-3-methylthiophene-2,4-dicarboxylate?
The molecular weight of diethyl 5-(2-((5-((3,5-dimethoxybenzamido)methyl)-4-phenethyl-4H-1,2,4-triazol-3-yl)thio)acetamido)-3-methylthiophene-2,4-dicarboxylate is 695.21 g/mol.
Where can I buy diethyl 5-(2-((5-((3,5-dimethoxybenzamido)methyl)-4-phenethyl-4H-1,2,4-triazol-3-yl)thio)acetamido)-3-methylthiophene-2,4-dicarboxylate?
You can request a quote for diethyl 5-(2-((5-((3,5-dimethoxybenzamido)methyl)-4-phenethyl-4H-1,2,4-triazol-3-yl)thio)acetamido)-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 diethyl 5-(2-((5-((3,5-dimethoxybenzamido)methyl)-4-phenethyl-4H-1,2,4-triazol-3-yl)thio)acetamido)-3-methylthiophene-2,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for diethyl 5-(2-((5-((3,5-dimethoxybenzamido)methyl)-4-phenethyl-4H-1,2,4-triazol-3-yl)thio)acetamido)-3-methylthiophene-2,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.