![2,4-diethyl 5-(2-{[4-(4-fluorophenyl)-5-{[(4-methoxyphenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-3-methylthiophene-2,4-dicarboxylate structure](/static/products/3938/393847-80-8.webp)
2,4-diethyl 5-(2-{[4-(4-fluorophenyl)-5-{[(4-methoxyphenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-3-methylthiophene-2,4-dicarboxylate
TL;DR: 2,4-diethyl 5-(2-{[4-(4-fluorophenyl)-5-{[(4-methoxyphenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-3-methylthiophene-2,4-dicarboxylate (CAS 393847-80-8) is a chemical compound with molecular formula C30H30FN5O7S2 and molecular weight 655.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 5-[[2-[[4-(4-fluorophenyl)-5-[[(4-methoxybenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-methylthiophene-2,4-dicarboxylate
Also Known As: 2,4-diethyl 5-(2-{[4-(4-fluorophenyl)-5-{[(4-methoxyphenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-3-methylthiophene-2,4-dicarboxylate, F0520-0090, diethyl 5-[[2-[[4-(4-fluorophenyl)-5-[[(4-methoxybenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-methylthiophene-2,4-dicarboxylate, diethyl 5-({[(4-(4-fluorophenyl)-5-{[(4-methoxybenzoyl)amino]methyl}-4H-1,2,4-triazol-3-yl)thio]acetyl}amino)-3-methylthiophene-2,4-dicarboxylate, diethyl 5-(2-((4-(4-fluorophenyl)-5-((4-methoxybenzamido)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)-3-methylthiophene-2,4-dicarboxylate
| Molecular Formula | C30H30FN5O7S2 |
|---|---|
| Molecular Weight | 655.16 g/mol |
| LogP | 4.79912 |
| Topological Polar Surface Area | 150.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 13 |
| Exact Mass | 655.15704 |
| Heavy Atoms | 45 |
| Complexity | 1687.8671 |
Chemical Identifiers
| CAS Number | 393847-80-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)F)CNC(=O)C4=CC=C(C=C4)OC |
Product Overview
2,4-diethyl 5-(2-{[4-(4-fluorophenyl)-5-{[(4-methoxyphenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-3-methylthiophene-2,4-dicarboxylate (CAS 393847-80-8), with molecular formula C30H30FN5O7S2 and molecular weight 655.16 g/mol. IUPAC: diethyl 5-[[2-[[4-(4-fluorophenyl)-5-[[(4-methoxybenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-methylthiophene-2,4-dicarboxylate.
Chemical Property Profile of 2,4-diethyl 5-(2-{[4-(4-fluorophenyl)-5-{[(4-methoxyphenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-3-methylthiophene-2,4-dicarboxylate
Property Insights of 2,4-diethyl 5-(2-{[4-(4-fluorophenyl)-5-{[(4-methoxyphenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-3-methylthiophene-2,4-dicarboxylate
The XLogP value of 4.79912 indicates that 2,4-diethyl 5-(2-{[4-(4-fluorophenyl)-5-{[(4-methoxyphenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-3-methylthiophene-2,4-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 150.74 Ų indicates high polarity, suggesting 2,4-diethyl 5-(2-{[4-(4-fluorophenyl)-5-{[(4-methoxyphenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-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-(4-fluorophenyl)-5-{[(4-methoxyphenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-3-methylthiophene-2,4-dicarboxylate has 2 hydrogen bond donor(s) and 11 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-(4-fluorophenyl)-5-{[(4-methoxyphenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-3-methylthiophene-2,4-dicarboxylate?
The CAS number of 2,4-diethyl 5-(2-{[4-(4-fluorophenyl)-5-{[(4-methoxyphenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-3-methylthiophene-2,4-dicarboxylate is 393847-80-8.
What is the molecular formula of 2,4-diethyl 5-(2-{[4-(4-fluorophenyl)-5-{[(4-methoxyphenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-3-methylthiophene-2,4-dicarboxylate?
The molecular formula of 2,4-diethyl 5-(2-{[4-(4-fluorophenyl)-5-{[(4-methoxyphenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-3-methylthiophene-2,4-dicarboxylate is C30H30FN5O7S2.
What is the molecular weight of 2,4-diethyl 5-(2-{[4-(4-fluorophenyl)-5-{[(4-methoxyphenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-3-methylthiophene-2,4-dicarboxylate?
The molecular weight of 2,4-diethyl 5-(2-{[4-(4-fluorophenyl)-5-{[(4-methoxyphenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-3-methylthiophene-2,4-dicarboxylate is 655.16 g/mol.
Where can I buy 2,4-diethyl 5-(2-{[4-(4-fluorophenyl)-5-{[(4-methoxyphenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-3-methylthiophene-2,4-dicarboxylate?
You can request a quote for 2,4-diethyl 5-(2-{[4-(4-fluorophenyl)-5-{[(4-methoxyphenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}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 2,4-diethyl 5-(2-{[4-(4-fluorophenyl)-5-{[(4-methoxyphenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-3-methylthiophene-2,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2,4-diethyl 5-(2-{[4-(4-fluorophenyl)-5-{[(4-methoxyphenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-3-methylthiophene-2,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.