![4-ethyl 2-methyl 5-[(2,1,3-benzothiadiazol-5-ylcarbonyl)amino]-3-methylthiophene-2,4-dicarboxylate structure](/static/products/792/792947-10-5.png)
4-ethyl 2-methyl 5-[(2,1,3-benzothiadiazol-5-ylcarbonyl)amino]-3-methylthiophene-2,4-dicarboxylate
TL;DR: 4-ethyl 2-methyl 5-[(2,1,3-benzothiadiazol-5-ylcarbonyl)amino]-3-methylthiophene-2,4-dicarboxylate (CAS 792947-10-5) is a chemical compound with molecular formula C17H15N3O5S2 and molecular weight 405.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-O-ethyl 2-O-methyl 5-(2,1,3-benzothiadiazole-5-carbonylamino)-3-methylthiophene-2,4-dicarboxylate
Also Known As: 4-ethyl 2-methyl 5-[(2,1,3-benzothiadiazol-5-ylcarbonyl)amino]-3-methylthiophene-2,4-dicarboxylate, 4-ethyl 2-methyl 5-(benzo[c][1,2,5]thiadiazole-5-carboxamido)-3-methylthiophene-2,4-dicarboxylate, 4-O-ethyl 2-O-methyl 5-(2,1,3-benzothiadiazole-5-carbonylamino)-3-methylthiophene-2,4-dicarboxylate
| Molecular Formula | C17H15N3O5S2 |
|---|---|
| Molecular Weight | 405.05 g/mol |
| LogP | 3.27682 |
| Topological Polar Surface Area | 107.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 405.04532 |
| Heavy Atoms | 27 |
| Complexity | 1040.545 |
Chemical Identifiers
| CAS Number | 792947-10-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)OC)NC(=O)C2=CC3=NSN=C3C=C2 |
Product Overview
4-ethyl 2-methyl 5-[(2,1,3-benzothiadiazol-5-ylcarbonyl)amino]-3-methylthiophene-2,4-dicarboxylate (CAS 792947-10-5), with molecular formula C17H15N3O5S2 and molecular weight 405.05 g/mol. IUPAC: 4-O-ethyl 2-O-methyl 5-(2,1,3-benzothiadiazole-5-carbonylamino)-3-methylthiophene-2,4-dicarboxylate.
Chemical Property Profile of 4-ethyl 2-methyl 5-[(2,1,3-benzothiadiazol-5-ylcarbonyl)amino]-3-methylthiophene-2,4-dicarboxylate
Property Insights of 4-ethyl 2-methyl 5-[(2,1,3-benzothiadiazol-5-ylcarbonyl)amino]-3-methylthiophene-2,4-dicarboxylate
The XLogP value of 3.27682 indicates that 4-ethyl 2-methyl 5-[(2,1,3-benzothiadiazol-5-ylcarbonyl)amino]-3-methylthiophene-2,4-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-ethyl 2-methyl 5-[(2,1,3-benzothiadiazol-5-ylcarbonyl)amino]-3-methylthiophene-2,4-dicarboxylate. Following Lipinski's Rule of Five, 4-ethyl 2-methyl 5-[(2,1,3-benzothiadiazol-5-ylcarbonyl)amino]-3-methylthiophene-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 4-ethyl 2-methyl 5-[(2,1,3-benzothiadiazol-5-ylcarbonyl)amino]-3-methylthiophene-2,4-dicarboxylate?
The CAS number of 4-ethyl 2-methyl 5-[(2,1,3-benzothiadiazol-5-ylcarbonyl)amino]-3-methylthiophene-2,4-dicarboxylate is 792947-10-5.
What is the molecular formula of 4-ethyl 2-methyl 5-[(2,1,3-benzothiadiazol-5-ylcarbonyl)amino]-3-methylthiophene-2,4-dicarboxylate?
The molecular formula of 4-ethyl 2-methyl 5-[(2,1,3-benzothiadiazol-5-ylcarbonyl)amino]-3-methylthiophene-2,4-dicarboxylate is C17H15N3O5S2.
What is the molecular weight of 4-ethyl 2-methyl 5-[(2,1,3-benzothiadiazol-5-ylcarbonyl)amino]-3-methylthiophene-2,4-dicarboxylate?
The molecular weight of 4-ethyl 2-methyl 5-[(2,1,3-benzothiadiazol-5-ylcarbonyl)amino]-3-methylthiophene-2,4-dicarboxylate is 405.05 g/mol.
Where can I buy 4-ethyl 2-methyl 5-[(2,1,3-benzothiadiazol-5-ylcarbonyl)amino]-3-methylthiophene-2,4-dicarboxylate?
You can request a quote for 4-ethyl 2-methyl 5-[(2,1,3-benzothiadiazol-5-ylcarbonyl)amino]-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 4-ethyl 2-methyl 5-[(2,1,3-benzothiadiazol-5-ylcarbonyl)amino]-3-methylthiophene-2,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-ethyl 2-methyl 5-[(2,1,3-benzothiadiazol-5-ylcarbonyl)amino]-3-methylthiophene-2,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.