![Ethyl 2-[[cyclopropyl-(3,5-dinitrobenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate structure](/static/products/5945/5945-27-7.webp)
Ethyl 2-[[cyclopropyl-(3,5-dinitrobenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate
TL;DR: Ethyl 2-[[cyclopropyl-(3,5-dinitrobenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate (CAS 5945-27-7) is a chemical compound with molecular formula C17H16N4O7S and molecular weight 420.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[cyclopropyl-(3,5-dinitrobenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate
Also Known As: Ethyl 2-[[cyclopropyl-(3,5-dinitrobenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate, Ethyl 2-[(N-cyclopropyl-3,5-dinitrobenzamido)methyl]-1,3-thiazole-4-carboxylate
| Molecular Formula | C17H16N4O7S |
|---|---|
| Molecular Weight | 420.07 g/mol |
| LogP | 2.941 |
| Topological Polar Surface Area | 145.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 420.07397 |
| Heavy Atoms | 29 |
| Complexity | 953.6611 |
Chemical Identifiers
| CAS Number | 5945-27-7 |
|---|---|
| SMILES | CCOC(=O)C1=CSC(=N1)CN(C2CC2)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
Ethyl 2-[[cyclopropyl-(3,5-dinitrobenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate (CAS 5945-27-7), with molecular formula C17H16N4O7S and molecular weight 420.07 g/mol. IUPAC: ethyl 2-[[cyclopropyl-(3,5-dinitrobenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate.
Chemical Property Profile of Ethyl 2-[[cyclopropyl-(3,5-dinitrobenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate
Property Insights of Ethyl 2-[[cyclopropyl-(3,5-dinitrobenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate
The XLogP value of 2.941 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-[[cyclopropyl-(3,5-dinitrobenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate. The TPSA of 145.78 Ų indicates high polarity, suggesting Ethyl 2-[[cyclopropyl-(3,5-dinitrobenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ethyl 2-[[cyclopropyl-(3,5-dinitrobenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate has 0 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-[[cyclopropyl-(3,5-dinitrobenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate?
The CAS number of Ethyl 2-[[cyclopropyl-(3,5-dinitrobenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate is 5945-27-7.
What is the molecular formula of Ethyl 2-[[cyclopropyl-(3,5-dinitrobenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate?
The molecular formula of Ethyl 2-[[cyclopropyl-(3,5-dinitrobenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate is C17H16N4O7S.
What is the molecular weight of Ethyl 2-[[cyclopropyl-(3,5-dinitrobenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate?
The molecular weight of Ethyl 2-[[cyclopropyl-(3,5-dinitrobenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate is 420.07 g/mol.
Where can I buy Ethyl 2-[[cyclopropyl-(3,5-dinitrobenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate?
You can request a quote for Ethyl 2-[[cyclopropyl-(3,5-dinitrobenzoyl)amino]methyl]-1,3-thiazole-4-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-[[cyclopropyl-(3,5-dinitrobenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[[cyclopropyl-(3,5-dinitrobenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.