![ethyl 2-[[5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]furan-2-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate structure](/static/products/4894/489408-49-3.webp)
ethyl 2-[[5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]furan-2-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate
TL;DR: ethyl 2-[[5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]furan-2-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate (CAS 489408-49-3) is a chemical compound with molecular formula C20H22N4O6S and molecular weight 446.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]furan-2-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate
Also Known As: ethyl 2-[[5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]furan-2-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate, ethyl 2-({5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-2-furoyl}amino)-4,5-dimethylthiophene-3-carboxylate, ethyl 2-(5-((3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl)furan-2-carboxamido)-4,5-dimethylthiophene-3-carboxylate, ethyl 2-[({5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate, ethyl 2-{[5-({4-nitro-3,5-dimethyl-1H-pyrazol-1-yl}methyl)-2-furoyl]amino}-4,5-dimethyl-3-thiophenecarboxylate
| Molecular Formula | C20H22N4O6S |
|---|---|
| Molecular Weight | 446.13 g/mol |
| LogP | 4.15678 |
| Topological Polar Surface Area | 129.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 446.126 |
| Heavy Atoms | 31 |
| Complexity | 1172.9412 |
Chemical Identifiers
| CAS Number | 489408-49-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=CC=C(O2)CN3C(=C(C(=N3)C)[N+](=O)[O-])C |
Product Overview
ethyl 2-[[5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]furan-2-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate (CAS 489408-49-3), with molecular formula C20H22N4O6S and molecular weight 446.13 g/mol. IUPAC: ethyl 2-[[5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]furan-2-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-[[5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]furan-2-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate
Property Insights of ethyl 2-[[5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]furan-2-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate
The XLogP value of 4.15678 indicates that ethyl 2-[[5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]furan-2-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 129.5 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-[[5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]furan-2-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2-[[5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]furan-2-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate has 1 hydrogen bond donor(s) and 8 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-[[5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]furan-2-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate?
The CAS number of ethyl 2-[[5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]furan-2-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate is 489408-49-3.
What is the molecular formula of ethyl 2-[[5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]furan-2-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate?
The molecular formula of ethyl 2-[[5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]furan-2-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate is C20H22N4O6S.
What is the molecular weight of ethyl 2-[[5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]furan-2-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate?
The molecular weight of ethyl 2-[[5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]furan-2-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate is 446.13 g/mol.
Where can I buy ethyl 2-[[5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]furan-2-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate?
You can request a quote for ethyl 2-[[5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]furan-2-carbonyl]amino]-4,5-dimethylthiophene-3-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-[[5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]furan-2-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-[[5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]furan-2-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.