Ethyl 2-(3,5-dinitrobenzamido)-4,5-dimethylthiophene-3-carboxylate
TL;DR: Ethyl 2-(3,5-dinitrobenzamido)-4,5-dimethylthiophene-3-carboxylate (CAS 296263-73-5) is a chemical compound with molecular formula C16H15N3O7S and molecular weight 393.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(3,5-dinitrobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate
Also Known As: BAS 00396330, ETHYL 2-(3,5-DINITROBENZAMIDO)-4,5-DIMETHYLTHIOPHENE-3-CARBOXYLATE, ethyl 2-[(3,5-dinitrobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate, ethyl 2-[(3,5-dinitrophenyl)carbonylamino]-4,5-dimethylthiophene-3-carboxylate, ethyl 2-{[(3,5-dinitrophenyl)carbonyl]amino}-4,5-dimethylthiophene-3-carboxylate
| Molecular Formula | C16H15N3O7S |
|---|---|
| Molecular Weight | 393.06 g/mol |
| LogP | 3.61034 |
| Topological Polar Surface Area | 141.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 393.06308 |
| Heavy Atoms | 27 |
| Complexity | 919.48083 |
Chemical Identifiers
| CAS Number | 296263-73-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
Ethyl 2-(3,5-dinitrobenzamido)-4,5-dimethylthiophene-3-carboxylate (CAS 296263-73-5), with molecular formula C16H15N3O7S and molecular weight 393.06 g/mol. IUPAC: ethyl 2-[(3,5-dinitrobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate.
Chemical Property Profile of Ethyl 2-(3,5-dinitrobenzamido)-4,5-dimethylthiophene-3-carboxylate
Property Insights of Ethyl 2-(3,5-dinitrobenzamido)-4,5-dimethylthiophene-3-carboxylate
The XLogP value of 3.61034 indicates that Ethyl 2-(3,5-dinitrobenzamido)-4,5-dimethylthiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.68 Ų indicates high polarity, suggesting Ethyl 2-(3,5-dinitrobenzamido)-4,5-dimethylthiophene-3-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ethyl 2-(3,5-dinitrobenzamido)-4,5-dimethylthiophene-3-carboxylate 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 Ethyl 2-(3,5-dinitrobenzamido)-4,5-dimethylthiophene-3-carboxylate?
The CAS number of Ethyl 2-(3,5-dinitrobenzamido)-4,5-dimethylthiophene-3-carboxylate is 296263-73-5.
What is the molecular formula of Ethyl 2-(3,5-dinitrobenzamido)-4,5-dimethylthiophene-3-carboxylate?
The molecular formula of Ethyl 2-(3,5-dinitrobenzamido)-4,5-dimethylthiophene-3-carboxylate is C16H15N3O7S.
What is the molecular weight of Ethyl 2-(3,5-dinitrobenzamido)-4,5-dimethylthiophene-3-carboxylate?
The molecular weight of Ethyl 2-(3,5-dinitrobenzamido)-4,5-dimethylthiophene-3-carboxylate is 393.06 g/mol.
Where can I buy Ethyl 2-(3,5-dinitrobenzamido)-4,5-dimethylthiophene-3-carboxylate?
You can request a quote for Ethyl 2-(3,5-dinitrobenzamido)-4,5-dimethylthiophene-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-dinitrobenzamido)-4,5-dimethylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(3,5-dinitrobenzamido)-4,5-dimethylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.