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Ethyl 4-methyl-2-[2-(5-nitro-2-furanyl)ethenyl]-5-thiazolecarboxylate
TL;DR: Ethyl 4-methyl-2-[2-(5-nitro-2-furanyl)ethenyl]-5-thiazolecarboxylate (CAS 37566-41-9) is a chemical compound with molecular formula C13H12N2O5S and molecular weight 308.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-methyl-2-[2-(5-nitrofuran-2-yl)ethenyl]-1,3-thiazole-5-carboxylate
Also Known As: Ethyl 4-methyl-2-[2-(5-nitro-2-furanyl)ethenyl]-5-thiazolecarboxylate, Ethyl 4-methyl-2-(2-(5-nitro-2-furanyl)ethenyl)-5-thiazolecarboxylate, Ethyl 4-methyl-2-[2-(5-nitrofuran-2-yl)ethenyl]-1,3-thiazole-5-carboxylate, RefChem:344037
| Molecular Formula | C13H12N2O5S |
|---|---|
| Molecular Weight | 308.05 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 308.0467 |
| Heavy Atoms | 21 |
| Complexity | 425.0 |
Chemical Identifiers
| CAS Number | 37566-41-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C(S1)C=CC2=CC=C(O2)[N+](=O)[O-])C |
| InChIKey | VODOLSWZPFRRGH-UHFFFAOYSA-N |
Product Overview
Ethyl 4-methyl-2-[2-(5-nitro-2-furanyl)ethenyl]-5-thiazolecarboxylate (CAS 37566-41-9), with molecular formula C13H12N2O5S and molecular weight 308.05 g/mol. IUPAC: ethyl 4-methyl-2-[2-(5-nitrofuran-2-yl)ethenyl]-1,3-thiazole-5-carboxylate.
Chemical Property Profile of Ethyl 4-methyl-2-[2-(5-nitro-2-furanyl)ethenyl]-5-thiazolecarboxylate
Property Insights of Ethyl 4-methyl-2-[2-(5-nitro-2-furanyl)ethenyl]-5-thiazolecarboxylate
The XLogP value of 3.5 indicates that Ethyl 4-methyl-2-[2-(5-nitro-2-furanyl)ethenyl]-5-thiazolecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-methyl-2-[2-(5-nitro-2-furanyl)ethenyl]-5-thiazolecarboxylate. Following Lipinski's Rule of Five, Ethyl 4-methyl-2-[2-(5-nitro-2-furanyl)ethenyl]-5-thiazolecarboxylate has 0 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 4-methyl-2-[2-(5-nitro-2-furanyl)ethenyl]-5-thiazolecarboxylate?
The CAS number of Ethyl 4-methyl-2-[2-(5-nitro-2-furanyl)ethenyl]-5-thiazolecarboxylate is 37566-41-9.
What is the molecular formula of Ethyl 4-methyl-2-[2-(5-nitro-2-furanyl)ethenyl]-5-thiazolecarboxylate?
The molecular formula of Ethyl 4-methyl-2-[2-(5-nitro-2-furanyl)ethenyl]-5-thiazolecarboxylate is C13H12N2O5S.
What is the molecular weight of Ethyl 4-methyl-2-[2-(5-nitro-2-furanyl)ethenyl]-5-thiazolecarboxylate?
The molecular weight of Ethyl 4-methyl-2-[2-(5-nitro-2-furanyl)ethenyl]-5-thiazolecarboxylate is 308.05 g/mol.
Where can I buy Ethyl 4-methyl-2-[2-(5-nitro-2-furanyl)ethenyl]-5-thiazolecarboxylate?
You can request a quote for Ethyl 4-methyl-2-[2-(5-nitro-2-furanyl)ethenyl]-5-thiazolecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-methyl-2-[2-(5-nitro-2-furanyl)ethenyl]-5-thiazolecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-methyl-2-[2-(5-nitro-2-furanyl)ethenyl]-5-thiazolecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.