Ethyl 2-(2,4-dinitrobenzamido)-4-methylthiazole-5-carboxylate
TL;DR: Ethyl 2-(2,4-dinitrobenzamido)-4-methylthiazole-5-carboxylate (CAS 333779-29-6) is a chemical compound with molecular formula C14H12N4O7S and molecular weight 380.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(2,4-dinitrobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
Also Known As: BAS 01036871, ethyl 2-(2,4-dinitrobenzamido)-4-methylthiazole-5-carboxylate, ETHYL 2-(2,4-DINITROBENZAMIDO)-4-METHYL-1,3-THIAZOLE-5-CARBOXYLATE, ethyl 2-[(2,4-dinitrobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate, F0014-0319
| Molecular Formula | C14H12N4O7S |
|---|---|
| Molecular Weight | 380.04 g/mol |
| LogP | 2.69692 |
| Topological Polar Surface Area | 154.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 380.04266 |
| Heavy Atoms | 26 |
| Complexity | 908.69543 |
Chemical Identifiers
| CAS Number | 333779-29-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C(S1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C |
Product Overview
Ethyl 2-(2,4-dinitrobenzamido)-4-methylthiazole-5-carboxylate (CAS 333779-29-6), with molecular formula C14H12N4O7S and molecular weight 380.04 g/mol. IUPAC: ethyl 2-[(2,4-dinitrobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of Ethyl 2-(2,4-dinitrobenzamido)-4-methylthiazole-5-carboxylate
Property Insights of Ethyl 2-(2,4-dinitrobenzamido)-4-methylthiazole-5-carboxylate
The XLogP value of 2.69692 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(2,4-dinitrobenzamido)-4-methylthiazole-5-carboxylate. The TPSA of 154.57 Ų indicates high polarity, suggesting Ethyl 2-(2,4-dinitrobenzamido)-4-methylthiazole-5-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ethyl 2-(2,4-dinitrobenzamido)-4-methylthiazole-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 2-(2,4-dinitrobenzamido)-4-methylthiazole-5-carboxylate?
The CAS number of Ethyl 2-(2,4-dinitrobenzamido)-4-methylthiazole-5-carboxylate is 333779-29-6.
What is the molecular formula of Ethyl 2-(2,4-dinitrobenzamido)-4-methylthiazole-5-carboxylate?
The molecular formula of Ethyl 2-(2,4-dinitrobenzamido)-4-methylthiazole-5-carboxylate is C14H12N4O7S.
What is the molecular weight of Ethyl 2-(2,4-dinitrobenzamido)-4-methylthiazole-5-carboxylate?
The molecular weight of Ethyl 2-(2,4-dinitrobenzamido)-4-methylthiazole-5-carboxylate is 380.04 g/mol.
Where can I buy Ethyl 2-(2,4-dinitrobenzamido)-4-methylthiazole-5-carboxylate?
You can request a quote for Ethyl 2-(2,4-dinitrobenzamido)-4-methylthiazole-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 2-(2,4-dinitrobenzamido)-4-methylthiazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(2,4-dinitrobenzamido)-4-methylthiazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.