![ethyl 2-[(3,5-dinitrobenzoyl)amino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate structure](/static/products/4449/444998-63-4.webp)
ethyl 2-[(3,5-dinitrobenzoyl)amino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate
TL;DR: ethyl 2-[(3,5-dinitrobenzoyl)amino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate (CAS 444998-63-4) is a chemical compound with molecular formula C22H18N4O8S and molecular weight 498.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(3,5-dinitrobenzoyl)amino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate
Also Known As: ethyl 2-[(3,5-dinitrobenzoyl)amino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate, ethyl 5-(anilinocarbonyl)-2-({3,5-bisnitrobenzoyl}amino)-4-methylthiophene-3-carboxylate, ethyl 2-[(3,5-dinitrophenyl)carbonylamino]-4-methyl-5-(N-phenylcarbamoyl)thiop hene-3-carboxylate, ethyl 2-{[(3,5-dinitrophenyl)carbonyl]amino}-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate
| Molecular Formula | C22H18N4O8S |
|---|---|
| Molecular Weight | 498.08 g/mol |
| LogP | 4.55422 |
| Topological Polar Surface Area | 170.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 498.08453 |
| Heavy Atoms | 35 |
| Complexity | 1304.4738 |
Chemical Identifiers
| CAS Number | 444998-63-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=CC=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
ethyl 2-[(3,5-dinitrobenzoyl)amino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate (CAS 444998-63-4), with molecular formula C22H18N4O8S and molecular weight 498.08 g/mol. IUPAC: ethyl 2-[(3,5-dinitrobenzoyl)amino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-[(3,5-dinitrobenzoyl)amino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate
Property Insights of ethyl 2-[(3,5-dinitrobenzoyl)amino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate
The XLogP value of 4.55422 indicates that ethyl 2-[(3,5-dinitrobenzoyl)amino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 170.78 Ų indicates high polarity, suggesting ethyl 2-[(3,5-dinitrobenzoyl)amino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ethyl 2-[(3,5-dinitrobenzoyl)amino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate has 2 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 ethyl 2-[(3,5-dinitrobenzoyl)amino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate?
The CAS number of ethyl 2-[(3,5-dinitrobenzoyl)amino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate is 444998-63-4.
What is the molecular formula of ethyl 2-[(3,5-dinitrobenzoyl)amino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate?
The molecular formula of ethyl 2-[(3,5-dinitrobenzoyl)amino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate is C22H18N4O8S.
What is the molecular weight of ethyl 2-[(3,5-dinitrobenzoyl)amino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate?
The molecular weight of ethyl 2-[(3,5-dinitrobenzoyl)amino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate is 498.08 g/mol.
Where can I buy ethyl 2-[(3,5-dinitrobenzoyl)amino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate?
You can request a quote for ethyl 2-[(3,5-dinitrobenzoyl)amino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-[(3,5-dinitrobenzoyl)amino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-[(3,5-dinitrobenzoyl)amino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.