ethyl 4-(3,5-dinitrobenzamido)-3-ethyl-2-thioxo-2,3-dihydrothiazole-5-carboxylate
TL;DR: ethyl 4-(3,5-dinitrobenzamido)-3-ethyl-2-thioxo-2,3-dihydrothiazole-5-carboxylate (CAS 371140-53-3) is a chemical compound with molecular formula C15H14N4O7S2 and molecular weight 426.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(3,5-dinitrobenzoyl)amino]-3-ethyl-2-sulfanylidene-1,3-thiazole-5-carboxylate
Also Known As: ethyl 4-(3,5-dinitrobenzamido)-3-ethyl-2-thioxo-2,3-dihydrothiazole-5-carboxylate, ethyl 4-[(3,5-dinitrobenzoyl)amino]-3-ethyl-2-sulfanylidene-1,3-thiazole-5-carboxylate, ethyl 4-{[(3,5-dinitrophenyl)carbonyl]amino}-3-ethyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate
| Molecular Formula | C15H14N4O7S2 |
|---|---|
| Molecular Weight | 426.03 g/mol |
| LogP | 3.54439 |
| Topological Polar Surface Area | 146.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 426.0304 |
| Heavy Atoms | 28 |
| Complexity | 995.63214 |
Chemical Identifiers
| CAS Number | 371140-53-3 |
|---|---|
| SMILES | CCN1C(=C(SC1=S)C(=O)OCC)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
ethyl 4-(3,5-dinitrobenzamido)-3-ethyl-2-thioxo-2,3-dihydrothiazole-5-carboxylate (CAS 371140-53-3), with molecular formula C15H14N4O7S2 and molecular weight 426.03 g/mol. IUPAC: ethyl 4-[(3,5-dinitrobenzoyl)amino]-3-ethyl-2-sulfanylidene-1,3-thiazole-5-carboxylate.
Chemical Property Profile of ethyl 4-(3,5-dinitrobenzamido)-3-ethyl-2-thioxo-2,3-dihydrothiazole-5-carboxylate
Property Insights of ethyl 4-(3,5-dinitrobenzamido)-3-ethyl-2-thioxo-2,3-dihydrothiazole-5-carboxylate
The XLogP value of 3.54439 indicates that ethyl 4-(3,5-dinitrobenzamido)-3-ethyl-2-thioxo-2,3-dihydrothiazole-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 146.61 Ų indicates high polarity, suggesting ethyl 4-(3,5-dinitrobenzamido)-3-ethyl-2-thioxo-2,3-dihydrothiazole-5-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ethyl 4-(3,5-dinitrobenzamido)-3-ethyl-2-thioxo-2,3-dihydrothiazole-5-carboxylate 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 ethyl 4-(3,5-dinitrobenzamido)-3-ethyl-2-thioxo-2,3-dihydrothiazole-5-carboxylate?
The CAS number of ethyl 4-(3,5-dinitrobenzamido)-3-ethyl-2-thioxo-2,3-dihydrothiazole-5-carboxylate is 371140-53-3.
What is the molecular formula of ethyl 4-(3,5-dinitrobenzamido)-3-ethyl-2-thioxo-2,3-dihydrothiazole-5-carboxylate?
The molecular formula of ethyl 4-(3,5-dinitrobenzamido)-3-ethyl-2-thioxo-2,3-dihydrothiazole-5-carboxylate is C15H14N4O7S2.
What is the molecular weight of ethyl 4-(3,5-dinitrobenzamido)-3-ethyl-2-thioxo-2,3-dihydrothiazole-5-carboxylate?
The molecular weight of ethyl 4-(3,5-dinitrobenzamido)-3-ethyl-2-thioxo-2,3-dihydrothiazole-5-carboxylate is 426.03 g/mol.
Where can I buy ethyl 4-(3,5-dinitrobenzamido)-3-ethyl-2-thioxo-2,3-dihydrothiazole-5-carboxylate?
You can request a quote for ethyl 4-(3,5-dinitrobenzamido)-3-ethyl-2-thioxo-2,3-dihydrothiazole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-(3,5-dinitrobenzamido)-3-ethyl-2-thioxo-2,3-dihydrothiazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-(3,5-dinitrobenzamido)-3-ethyl-2-thioxo-2,3-dihydrothiazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.