![4-ethyl 2-methyl 3-methyl-5-{[(4-nitrophenyl)acetyl]amino}thiophene-2,4-dicarboxylate structure](/static/products/4450/445000-52-2.webp)
4-ethyl 2-methyl 3-methyl-5-{[(4-nitrophenyl)acetyl]amino}thiophene-2,4-dicarboxylate
TL;DR: 4-ethyl 2-methyl 3-methyl-5-{[(4-nitrophenyl)acetyl]amino}thiophene-2,4-dicarboxylate (CAS 445000-52-2) is a chemical compound with molecular formula C18H18N2O7S and molecular weight 406.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-O-ethyl 2-O-methyl 3-methyl-5-[[2-(4-nitrophenyl)acetyl]amino]thiophene-2,4-dicarboxylate
Also Known As: 4-ethyl 2-methyl 3-methyl-5-{[(4-nitrophenyl)acetyl]amino}thiophene-2,4-dicarboxylate, 4-O-ethyl 2-O-methyl 3-methyl-5-[[2-(4-nitrophenyl)acetyl]amino]thiophene-2,4-dicarboxylate, 4-ethyl 2-methyl 3-methyl-5-(2-(4-nitrophenyl)acetamido)thiophene-2,4-dicarboxylate, 4-ethyl 2-methyl 5-[({4-nitrophenyl}acetyl)amino]-3-methyl-2,4-thiophenedicarboxylate, methyl 4-(ethoxycarbonyl)-3-methyl-5-[2-(4-nitrophenyl)acetylamino]thiophene-2 -carboxylate
| Molecular Formula | C18H18N2O7S |
|---|---|
| Molecular Weight | 406.08 g/mol |
| LogP | 3.10922 |
| Topological Polar Surface Area | 124.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 406.08347 |
| Heavy Atoms | 28 |
| Complexity | 918.7605 |
Chemical Identifiers
| CAS Number | 445000-52-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)OC)NC(=O)CC2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
4-ethyl 2-methyl 3-methyl-5-{[(4-nitrophenyl)acetyl]amino}thiophene-2,4-dicarboxylate (CAS 445000-52-2), with molecular formula C18H18N2O7S and molecular weight 406.08 g/mol. IUPAC: 4-O-ethyl 2-O-methyl 3-methyl-5-[[2-(4-nitrophenyl)acetyl]amino]thiophene-2,4-dicarboxylate.
Chemical Property Profile of 4-ethyl 2-methyl 3-methyl-5-{[(4-nitrophenyl)acetyl]amino}thiophene-2,4-dicarboxylate
Property Insights of 4-ethyl 2-methyl 3-methyl-5-{[(4-nitrophenyl)acetyl]amino}thiophene-2,4-dicarboxylate
The XLogP value of 3.10922 indicates that 4-ethyl 2-methyl 3-methyl-5-{[(4-nitrophenyl)acetyl]amino}thiophene-2,4-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-ethyl 2-methyl 3-methyl-5-{[(4-nitrophenyl)acetyl]amino}thiophene-2,4-dicarboxylate. Following Lipinski's Rule of Five, 4-ethyl 2-methyl 3-methyl-5-{[(4-nitrophenyl)acetyl]amino}thiophene-2,4-dicarboxylate has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-ethyl 2-methyl 3-methyl-5-{[(4-nitrophenyl)acetyl]amino}thiophene-2,4-dicarboxylate?
The CAS number of 4-ethyl 2-methyl 3-methyl-5-{[(4-nitrophenyl)acetyl]amino}thiophene-2,4-dicarboxylate is 445000-52-2.
What is the molecular formula of 4-ethyl 2-methyl 3-methyl-5-{[(4-nitrophenyl)acetyl]amino}thiophene-2,4-dicarboxylate?
The molecular formula of 4-ethyl 2-methyl 3-methyl-5-{[(4-nitrophenyl)acetyl]amino}thiophene-2,4-dicarboxylate is C18H18N2O7S.
What is the molecular weight of 4-ethyl 2-methyl 3-methyl-5-{[(4-nitrophenyl)acetyl]amino}thiophene-2,4-dicarboxylate?
The molecular weight of 4-ethyl 2-methyl 3-methyl-5-{[(4-nitrophenyl)acetyl]amino}thiophene-2,4-dicarboxylate is 406.08 g/mol.
Where can I buy 4-ethyl 2-methyl 3-methyl-5-{[(4-nitrophenyl)acetyl]amino}thiophene-2,4-dicarboxylate?
You can request a quote for 4-ethyl 2-methyl 3-methyl-5-{[(4-nitrophenyl)acetyl]amino}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 4-ethyl 2-methyl 3-methyl-5-{[(4-nitrophenyl)acetyl]amino}thiophene-2,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-ethyl 2-methyl 3-methyl-5-{[(4-nitrophenyl)acetyl]amino}thiophene-2,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.