![Dimethyl 3-methyl-5-{[(4-nitrophenoxy)acetyl]amino}thiophene-2,4-dicarboxylate structure](/static/products/4450/445005-28-7.webp)
Dimethyl 3-methyl-5-{[(4-nitrophenoxy)acetyl]amino}thiophene-2,4-dicarboxylate
TL;DR: Dimethyl 3-methyl-5-{[(4-nitrophenoxy)acetyl]amino}thiophene-2,4-dicarboxylate (CAS 445005-28-7) is a chemical compound with molecular formula C17H16N2O8S and molecular weight 408.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 3-methyl-5-[[2-(4-nitrophenoxy)acetyl]amino]thiophene-2,4-dicarboxylate
Also Known As: dimethyl 3-methyl-5-[[2-(4-nitrophenoxy)acetyl]amino]thiophene-2,4-dicarboxylate, dimethyl 3-methyl-5-{[(4-nitrophenoxy)acetyl]amino}thiophene-2,4-dicarboxylate, dimethyl 3-methyl-5-(2-(4-nitrophenoxy)acetamido)thiophene-2,4-dicarboxylate, dimethyl 5-[({4-nitrophenoxy}acetyl)amino]-3-methylthiophene-2,4-dicarboxylate, methyl 4-(methoxycarbonyl)-3-methyl-5-[2-(4-nitrophenoxy)acetylamino]thiophene -2-carboxylate
| Molecular Formula | C17H16N2O8S |
|---|---|
| Molecular Weight | 408.06 g/mol |
| LogP | 2.55542 |
| Topological Polar Surface Area | 134.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 408.06274 |
| Heavy Atoms | 28 |
| Complexity | 919.98376 |
Chemical Identifiers
| CAS Number | 445005-28-7 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC)NC(=O)COC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC |
Product Overview
Dimethyl 3-methyl-5-{[(4-nitrophenoxy)acetyl]amino}thiophene-2,4-dicarboxylate (CAS 445005-28-7), with molecular formula C17H16N2O8S and molecular weight 408.06 g/mol. IUPAC: dimethyl 3-methyl-5-[[2-(4-nitrophenoxy)acetyl]amino]thiophene-2,4-dicarboxylate.
Chemical Property Profile of Dimethyl 3-methyl-5-{[(4-nitrophenoxy)acetyl]amino}thiophene-2,4-dicarboxylate
Property Insights of Dimethyl 3-methyl-5-{[(4-nitrophenoxy)acetyl]amino}thiophene-2,4-dicarboxylate
The XLogP value of 2.55542 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 3-methyl-5-{[(4-nitrophenoxy)acetyl]amino}thiophene-2,4-dicarboxylate. The TPSA of 134.07 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 3-methyl-5-{[(4-nitrophenoxy)acetyl]amino}thiophene-2,4-dicarboxylate. Following Lipinski's Rule of Five, Dimethyl 3-methyl-5-{[(4-nitrophenoxy)acetyl]amino}thiophene-2,4-dicarboxylate has 1 hydrogen bond donor(s) and 9 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 Dimethyl 3-methyl-5-{[(4-nitrophenoxy)acetyl]amino}thiophene-2,4-dicarboxylate?
The CAS number of Dimethyl 3-methyl-5-{[(4-nitrophenoxy)acetyl]amino}thiophene-2,4-dicarboxylate is 445005-28-7.
What is the molecular formula of Dimethyl 3-methyl-5-{[(4-nitrophenoxy)acetyl]amino}thiophene-2,4-dicarboxylate?
The molecular formula of Dimethyl 3-methyl-5-{[(4-nitrophenoxy)acetyl]amino}thiophene-2,4-dicarboxylate is C17H16N2O8S.
What is the molecular weight of Dimethyl 3-methyl-5-{[(4-nitrophenoxy)acetyl]amino}thiophene-2,4-dicarboxylate?
The molecular weight of Dimethyl 3-methyl-5-{[(4-nitrophenoxy)acetyl]amino}thiophene-2,4-dicarboxylate is 408.06 g/mol.
Where can I buy Dimethyl 3-methyl-5-{[(4-nitrophenoxy)acetyl]amino}thiophene-2,4-dicarboxylate?
You can request a quote for Dimethyl 3-methyl-5-{[(4-nitrophenoxy)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 Dimethyl 3-methyl-5-{[(4-nitrophenoxy)acetyl]amino}thiophene-2,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 3-methyl-5-{[(4-nitrophenoxy)acetyl]amino}thiophene-2,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.