ethyl 3-ethyl-4-(4-nitrobenzamido)-2-thioxo-2,3-dihydrothiazole-5-carboxylate
TL;DR: ethyl 3-ethyl-4-(4-nitrobenzamido)-2-thioxo-2,3-dihydrothiazole-5-carboxylate (CAS 370869-32-2) is a chemical compound with molecular formula C15H15N3O5S2 and molecular weight 381.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-ethyl-4-[(4-nitrobenzoyl)amino]-2-sulfanylidene-1,3-thiazole-5-carboxylate
Also Known As: ethyl 3-ethyl-4-(4-nitrobenzamido)-2-thioxo-2,3-dihydrothiazole-5-carboxylate, ethyl 3-ethyl-4-[(4-nitrobenzoyl)amino]-2-sulfanylidene-1,3-thiazole-5-carboxylate, ethyl 3-ethyl-4-{[(4-nitrophenyl)carbonyl]amino}-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate
| Molecular Formula | C15H15N3O5S2 |
|---|---|
| Molecular Weight | 381.05 g/mol |
| LogP | 3.63619 |
| Topological Polar Surface Area | 103.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 381.04532 |
| Heavy Atoms | 25 |
| Complexity | 870.2822 |
Chemical Identifiers
| CAS Number | 370869-32-2 |
|---|---|
| SMILES | CCN1C(=C(SC1=S)C(=O)OCC)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
ethyl 3-ethyl-4-(4-nitrobenzamido)-2-thioxo-2,3-dihydrothiazole-5-carboxylate (CAS 370869-32-2), with molecular formula C15H15N3O5S2 and molecular weight 381.05 g/mol. IUPAC: ethyl 3-ethyl-4-[(4-nitrobenzoyl)amino]-2-sulfanylidene-1,3-thiazole-5-carboxylate.
Chemical Property Profile of ethyl 3-ethyl-4-(4-nitrobenzamido)-2-thioxo-2,3-dihydrothiazole-5-carboxylate
Property Insights of ethyl 3-ethyl-4-(4-nitrobenzamido)-2-thioxo-2,3-dihydrothiazole-5-carboxylate
The XLogP value of 3.63619 indicates that ethyl 3-ethyl-4-(4-nitrobenzamido)-2-thioxo-2,3-dihydrothiazole-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.47 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3-ethyl-4-(4-nitrobenzamido)-2-thioxo-2,3-dihydrothiazole-5-carboxylate. Following Lipinski's Rule of Five, ethyl 3-ethyl-4-(4-nitrobenzamido)-2-thioxo-2,3-dihydrothiazole-5-carboxylate has 1 hydrogen bond donor(s) and 7 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 3-ethyl-4-(4-nitrobenzamido)-2-thioxo-2,3-dihydrothiazole-5-carboxylate?
The CAS number of ethyl 3-ethyl-4-(4-nitrobenzamido)-2-thioxo-2,3-dihydrothiazole-5-carboxylate is 370869-32-2.
What is the molecular formula of ethyl 3-ethyl-4-(4-nitrobenzamido)-2-thioxo-2,3-dihydrothiazole-5-carboxylate?
The molecular formula of ethyl 3-ethyl-4-(4-nitrobenzamido)-2-thioxo-2,3-dihydrothiazole-5-carboxylate is C15H15N3O5S2.
What is the molecular weight of ethyl 3-ethyl-4-(4-nitrobenzamido)-2-thioxo-2,3-dihydrothiazole-5-carboxylate?
The molecular weight of ethyl 3-ethyl-4-(4-nitrobenzamido)-2-thioxo-2,3-dihydrothiazole-5-carboxylate is 381.05 g/mol.
Where can I buy ethyl 3-ethyl-4-(4-nitrobenzamido)-2-thioxo-2,3-dihydrothiazole-5-carboxylate?
You can request a quote for ethyl 3-ethyl-4-(4-nitrobenzamido)-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 3-ethyl-4-(4-nitrobenzamido)-2-thioxo-2,3-dihydrothiazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-ethyl-4-(4-nitrobenzamido)-2-thioxo-2,3-dihydrothiazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.