![Dimethyl 3-methyl-5-[(3-methyl-4-nitrobenzoyl)amino]thiophene-2,4-dicarboxylate structure](/static/products/5405/540533-00-4.webp)
Dimethyl 3-methyl-5-[(3-methyl-4-nitrobenzoyl)amino]thiophene-2,4-dicarboxylate
TL;DR: Dimethyl 3-methyl-5-[(3-methyl-4-nitrobenzoyl)amino]thiophene-2,4-dicarboxylate (CAS 540533-00-4) is a chemical compound with molecular formula C17H16N2O7S and molecular weight 392.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 3-methyl-5-[(3-methyl-4-nitrobenzoyl)amino]thiophene-2,4-dicarboxylate
Also Known As: dimethyl 3-methyl-5-[(3-methyl-4-nitrobenzoyl)amino]thiophene-2,4-dicarboxylate, dimethyl 5-({4-nitro-3-methylbenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate, dimethyl 3-methyl-5-(3-methyl-4-nitrobenzamido)thiophene-2,4-dicarboxylate, dimethyl 3-methyl-5-{[(3-methyl-4-nitrophenyl)carbonyl]amino}thiophene-2,4-dicarboxylate, methyl 5-(methoxycarbonyl)-4-methyl-2-[(3-methyl-4-nitrophenyl)carbonylamino]t hiophene-3-carboxylate
| Molecular Formula | C17H16N2O7S |
|---|---|
| Molecular Weight | 392.07 g/mol |
| LogP | 3.09864 |
| Topological Polar Surface Area | 124.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 392.0678 |
| Heavy Atoms | 27 |
| Complexity | 948.99884 |
Chemical Identifiers
| CAS Number | 540533-00-4 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C(=O)NC2=C(C(=C(S2)C(=O)OC)C)C(=O)OC)[N+](=O)[O-] |
Product Overview
Dimethyl 3-methyl-5-[(3-methyl-4-nitrobenzoyl)amino]thiophene-2,4-dicarboxylate (CAS 540533-00-4), with molecular formula C17H16N2O7S and molecular weight 392.07 g/mol. IUPAC: dimethyl 3-methyl-5-[(3-methyl-4-nitrobenzoyl)amino]thiophene-2,4-dicarboxylate.
Chemical Property Profile of Dimethyl 3-methyl-5-[(3-methyl-4-nitrobenzoyl)amino]thiophene-2,4-dicarboxylate
Property Insights of Dimethyl 3-methyl-5-[(3-methyl-4-nitrobenzoyl)amino]thiophene-2,4-dicarboxylate
The XLogP value of 3.09864 indicates that Dimethyl 3-methyl-5-[(3-methyl-4-nitrobenzoyl)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 Dimethyl 3-methyl-5-[(3-methyl-4-nitrobenzoyl)amino]thiophene-2,4-dicarboxylate. Following Lipinski's Rule of Five, Dimethyl 3-methyl-5-[(3-methyl-4-nitrobenzoyl)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 Dimethyl 3-methyl-5-[(3-methyl-4-nitrobenzoyl)amino]thiophene-2,4-dicarboxylate?
The CAS number of Dimethyl 3-methyl-5-[(3-methyl-4-nitrobenzoyl)amino]thiophene-2,4-dicarboxylate is 540533-00-4.
What is the molecular formula of Dimethyl 3-methyl-5-[(3-methyl-4-nitrobenzoyl)amino]thiophene-2,4-dicarboxylate?
The molecular formula of Dimethyl 3-methyl-5-[(3-methyl-4-nitrobenzoyl)amino]thiophene-2,4-dicarboxylate is C17H16N2O7S.
What is the molecular weight of Dimethyl 3-methyl-5-[(3-methyl-4-nitrobenzoyl)amino]thiophene-2,4-dicarboxylate?
The molecular weight of Dimethyl 3-methyl-5-[(3-methyl-4-nitrobenzoyl)amino]thiophene-2,4-dicarboxylate is 392.07 g/mol.
Where can I buy Dimethyl 3-methyl-5-[(3-methyl-4-nitrobenzoyl)amino]thiophene-2,4-dicarboxylate?
You can request a quote for Dimethyl 3-methyl-5-[(3-methyl-4-nitrobenzoyl)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-[(3-methyl-4-nitrobenzoyl)amino]thiophene-2,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 3-methyl-5-[(3-methyl-4-nitrobenzoyl)amino]thiophene-2,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.