![2-ethyl 4-methyl 5-[({1-(1-adamantyl)-4-nitro-1H-pyrazol-3-yl}carbonyl)amino]-3-methyl-2,4-thiophenedicarboxylate structure](/static/products/4924/492457-06-4.webp)
2-ethyl 4-methyl 5-[({1-(1-adamantyl)-4-nitro-1H-pyrazol-3-yl}carbonyl)amino]-3-methyl-2,4-thiophenedicarboxylate
TL;DR: 2-ethyl 4-methyl 5-[({1-(1-adamantyl)-4-nitro-1H-pyrazol-3-yl}carbonyl)amino]-3-methyl-2,4-thiophenedicarboxylate (CAS 492457-06-4) is a chemical compound with molecular formula C24H28N4O7S and molecular weight 516.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-O-ethyl 4-O-methyl 5-[[1-(1-adamantyl)-4-nitropyrazole-3-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate
Also Known As: 2-ethyl 4-methyl 5-[({1-(1-adamantyl)-4-nitro-1H-pyrazol-3-yl}carbonyl)amino]-3-methyl-2,4-thiophenedicarboxylate, 2-O-ethyl 4-O-methyl 5-[[1-(1-adamantyl)-4-nitropyrazole-3-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate, 2-ethyl 4-methyl 3-methyl-5-({[4-nitro-1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1H-pyrazol-3-yl]carbonyl}amino)thiophene-2,4-dicarboxylate, 2-ETHYL 4-METHYL 5-({[1-(1-ADAMANTYL)-4-NITRO-1H-PYRAZOL-3-YL]CARBONYL}AMINO)-3-METHYL-2,4-THIOPHENEDICARBOXYLATE, 2-ethyl 4-methyl 5-(1-(adamantan-1-yl)-4-nitro-1H-pyrazole-3-carboxamido)-3-methylthiophene-2,4-dicarboxylate
| Molecular Formula | C24H28N4O7S |
|---|---|
| Molecular Weight | 516.17 g/mol |
| LogP | 4.30212 |
| Topological Polar Surface Area | 142.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 516.16785 |
| Heavy Atoms | 36 |
| Complexity | 1228.169 |
Chemical Identifiers
| CAS Number | 492457-06-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4)C(=O)OC)C |
Product Overview
2-ethyl 4-methyl 5-[({1-(1-adamantyl)-4-nitro-1H-pyrazol-3-yl}carbonyl)amino]-3-methyl-2,4-thiophenedicarboxylate (CAS 492457-06-4), with molecular formula C24H28N4O7S and molecular weight 516.17 g/mol. IUPAC: 2-O-ethyl 4-O-methyl 5-[[1-(1-adamantyl)-4-nitropyrazole-3-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate.
Chemical Property Profile of 2-ethyl 4-methyl 5-[({1-(1-adamantyl)-4-nitro-1H-pyrazol-3-yl}carbonyl)amino]-3-methyl-2,4-thiophenedicarboxylate
Property Insights of 2-ethyl 4-methyl 5-[({1-(1-adamantyl)-4-nitro-1H-pyrazol-3-yl}carbonyl)amino]-3-methyl-2,4-thiophenedicarboxylate
The XLogP value of 4.30212 indicates that 2-ethyl 4-methyl 5-[({1-(1-adamantyl)-4-nitro-1H-pyrazol-3-yl}carbonyl)amino]-3-methyl-2,4-thiophenedicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 142.66 Ų indicates high polarity, suggesting 2-ethyl 4-methyl 5-[({1-(1-adamantyl)-4-nitro-1H-pyrazol-3-yl}carbonyl)amino]-3-methyl-2,4-thiophenedicarboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-ethyl 4-methyl 5-[({1-(1-adamantyl)-4-nitro-1H-pyrazol-3-yl}carbonyl)amino]-3-methyl-2,4-thiophenedicarboxylate has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-ethyl 4-methyl 5-[({1-(1-adamantyl)-4-nitro-1H-pyrazol-3-yl}carbonyl)amino]-3-methyl-2,4-thiophenedicarboxylate?
The CAS number of 2-ethyl 4-methyl 5-[({1-(1-adamantyl)-4-nitro-1H-pyrazol-3-yl}carbonyl)amino]-3-methyl-2,4-thiophenedicarboxylate is 492457-06-4.
What is the molecular formula of 2-ethyl 4-methyl 5-[({1-(1-adamantyl)-4-nitro-1H-pyrazol-3-yl}carbonyl)amino]-3-methyl-2,4-thiophenedicarboxylate?
The molecular formula of 2-ethyl 4-methyl 5-[({1-(1-adamantyl)-4-nitro-1H-pyrazol-3-yl}carbonyl)amino]-3-methyl-2,4-thiophenedicarboxylate is C24H28N4O7S.
What is the molecular weight of 2-ethyl 4-methyl 5-[({1-(1-adamantyl)-4-nitro-1H-pyrazol-3-yl}carbonyl)amino]-3-methyl-2,4-thiophenedicarboxylate?
The molecular weight of 2-ethyl 4-methyl 5-[({1-(1-adamantyl)-4-nitro-1H-pyrazol-3-yl}carbonyl)amino]-3-methyl-2,4-thiophenedicarboxylate is 516.17 g/mol.
Where can I buy 2-ethyl 4-methyl 5-[({1-(1-adamantyl)-4-nitro-1H-pyrazol-3-yl}carbonyl)amino]-3-methyl-2,4-thiophenedicarboxylate?
You can request a quote for 2-ethyl 4-methyl 5-[({1-(1-adamantyl)-4-nitro-1H-pyrazol-3-yl}carbonyl)amino]-3-methyl-2,4-thiophenedicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-ethyl 4-methyl 5-[({1-(1-adamantyl)-4-nitro-1H-pyrazol-3-yl}carbonyl)amino]-3-methyl-2,4-thiophenedicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-ethyl 4-methyl 5-[({1-(1-adamantyl)-4-nitro-1H-pyrazol-3-yl}carbonyl)amino]-3-methyl-2,4-thiophenedicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.