![ethyl 4-methyl-2-[(3-pyridinylcarbonyl)amino]-5-(4-toluidinocarbonyl)-3-thiophenecarboxylate structure](/static/products/4450/445006-78-0.webp)
ethyl 4-methyl-2-[(3-pyridinylcarbonyl)amino]-5-(4-toluidinocarbonyl)-3-thiophenecarboxylate
TL;DR: ethyl 4-methyl-2-[(3-pyridinylcarbonyl)amino]-5-(4-toluidinocarbonyl)-3-thiophenecarboxylate (CAS 445006-78-0) is a chemical compound with molecular formula C22H21N3O4S and molecular weight 423.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-methyl-5-[(4-methylphenyl)carbamoyl]-2-(pyridine-3-carbonylamino)thiophene-3-carboxylate
Also Known As: ethyl 4-methyl-2-[(3-pyridinylcarbonyl)amino]-5-(4-toluidinocarbonyl)-3-thiophenecarboxylate, ethyl 4-methyl-2-(nicotinamido)-5-(p-tolylcarbamoyl)thiophene-3-carboxylate, ethyl 4-methyl-5-[(4-methylphenyl)carbamoyl]-2-(pyridine-3-carbonylamino)thiophene-3-carboxylate, ETHYL 4-METHYL-2-[(3-PYRIDYLCARBONYL)AMINO]-5-(4-TOLUIDINOCARBONYL)-3-THIOPHENECARBOXYLATE, ethyl 4-methyl-5-[(4-methylphenyl)carbamoyl]-2-[(pyridin-3-ylcarbonyl)amino]thiophene-3-carboxylate
| Molecular Formula | C22H21N3O4S |
|---|---|
| Molecular Weight | 423.13 g/mol |
| LogP | 4.44124 |
| Topological Polar Surface Area | 97.39 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 423.12527 |
| Heavy Atoms | 30 |
| Complexity | 1075.7671 |
Chemical Identifiers
| CAS Number | 445006-78-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=C(C=C2)C)NC(=O)C3=CN=CC=C3 |
Product Overview
ethyl 4-methyl-2-[(3-pyridinylcarbonyl)amino]-5-(4-toluidinocarbonyl)-3-thiophenecarboxylate (CAS 445006-78-0), with molecular formula C22H21N3O4S and molecular weight 423.13 g/mol. IUPAC: ethyl 4-methyl-5-[(4-methylphenyl)carbamoyl]-2-(pyridine-3-carbonylamino)thiophene-3-carboxylate.
Chemical Property Profile of ethyl 4-methyl-2-[(3-pyridinylcarbonyl)amino]-5-(4-toluidinocarbonyl)-3-thiophenecarboxylate
Property Insights of ethyl 4-methyl-2-[(3-pyridinylcarbonyl)amino]-5-(4-toluidinocarbonyl)-3-thiophenecarboxylate
The XLogP value of 4.44124 indicates that ethyl 4-methyl-2-[(3-pyridinylcarbonyl)amino]-5-(4-toluidinocarbonyl)-3-thiophenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.39 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-methyl-2-[(3-pyridinylcarbonyl)amino]-5-(4-toluidinocarbonyl)-3-thiophenecarboxylate. Following Lipinski's Rule of Five, ethyl 4-methyl-2-[(3-pyridinylcarbonyl)amino]-5-(4-toluidinocarbonyl)-3-thiophenecarboxylate has 2 hydrogen bond donor(s) and 6 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 ethyl 4-methyl-2-[(3-pyridinylcarbonyl)amino]-5-(4-toluidinocarbonyl)-3-thiophenecarboxylate?
The CAS number of ethyl 4-methyl-2-[(3-pyridinylcarbonyl)amino]-5-(4-toluidinocarbonyl)-3-thiophenecarboxylate is 445006-78-0.
What is the molecular formula of ethyl 4-methyl-2-[(3-pyridinylcarbonyl)amino]-5-(4-toluidinocarbonyl)-3-thiophenecarboxylate?
The molecular formula of ethyl 4-methyl-2-[(3-pyridinylcarbonyl)amino]-5-(4-toluidinocarbonyl)-3-thiophenecarboxylate is C22H21N3O4S.
What is the molecular weight of ethyl 4-methyl-2-[(3-pyridinylcarbonyl)amino]-5-(4-toluidinocarbonyl)-3-thiophenecarboxylate?
The molecular weight of ethyl 4-methyl-2-[(3-pyridinylcarbonyl)amino]-5-(4-toluidinocarbonyl)-3-thiophenecarboxylate is 423.13 g/mol.
Where can I buy ethyl 4-methyl-2-[(3-pyridinylcarbonyl)amino]-5-(4-toluidinocarbonyl)-3-thiophenecarboxylate?
You can request a quote for ethyl 4-methyl-2-[(3-pyridinylcarbonyl)amino]-5-(4-toluidinocarbonyl)-3-thiophenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-methyl-2-[(3-pyridinylcarbonyl)amino]-5-(4-toluidinocarbonyl)-3-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-methyl-2-[(3-pyridinylcarbonyl)amino]-5-(4-toluidinocarbonyl)-3-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.