![ethyl 2-[({2-[2-(3-methoxy-4-nitro-1H-pyrazol-1-yl)propanoyl]hydrazinyl}carbonothioyl)amino]-5-methyl-4-phenylthiophene-3-carboxylate structure](/static/products/896/896255-54-2.png)
ethyl 2-[({2-[2-(3-methoxy-4-nitro-1H-pyrazol-1-yl)propanoyl]hydrazinyl}carbonothioyl)amino]-5-methyl-4-phenylthiophene-3-carboxylate
TL;DR: ethyl 2-[({2-[2-(3-methoxy-4-nitro-1H-pyrazol-1-yl)propanoyl]hydrazinyl}carbonothioyl)amino]-5-methyl-4-phenylthiophene-3-carboxylate (CAS 896255-54-2) is a chemical compound with molecular formula C22H24N6O6S2 and molecular weight 532.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-(3-methoxy-4-nitropyrazol-1-yl)propanoylamino]carbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate
Also Known As: ethyl 2-[({2-[2-(3-methoxy-4-nitro-1H-pyrazol-1-yl)propanoyl]hydrazinyl}carbonothioyl)amino]-5-methyl-4-phenylthiophene-3-carboxylate, ethyl 2-(2-(2-(3-methoxy-4-nitro-1H-pyrazol-1-yl)propanoyl)hydrazinecarbothioamido)-5-methyl-4-phenylthiophene-3-carboxylate, ethyl 2-[({[2-(3-methoxy-4-nitropyrazolyl)propanoylamino]amino}thioxomethyl)am ino]-5-methyl-4-phenylthiophene-3-carboxylate, ethyl 2-[[2-(3-methoxy-4-nitropyrazol-1-yl)propanoylamino]carbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate
| Molecular Formula | C22H24N6O6S2 |
|---|---|
| Molecular Weight | 532.12 g/mol |
| LogP | 3.59232 |
| Topological Polar Surface Area | 149.65 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 532.1199 |
| Heavy Atoms | 36 |
| Complexity | 1289.6866 |
Chemical Identifiers
| CAS Number | 896255-54-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NNC(=O)C(C)N3C=C(C(=N3)OC)[N+](=O)[O-] |
Product Overview
ethyl 2-[({2-[2-(3-methoxy-4-nitro-1H-pyrazol-1-yl)propanoyl]hydrazinyl}carbonothioyl)amino]-5-methyl-4-phenylthiophene-3-carboxylate (CAS 896255-54-2), with molecular formula C22H24N6O6S2 and molecular weight 532.12 g/mol. IUPAC: ethyl 2-[[2-(3-methoxy-4-nitropyrazol-1-yl)propanoylamino]carbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-[({2-[2-(3-methoxy-4-nitro-1H-pyrazol-1-yl)propanoyl]hydrazinyl}carbonothioyl)amino]-5-methyl-4-phenylthiophene-3-carboxylate
Property Insights of ethyl 2-[({2-[2-(3-methoxy-4-nitro-1H-pyrazol-1-yl)propanoyl]hydrazinyl}carbonothioyl)amino]-5-methyl-4-phenylthiophene-3-carboxylate
The XLogP value of 3.59232 indicates that ethyl 2-[({2-[2-(3-methoxy-4-nitro-1H-pyrazol-1-yl)propanoyl]hydrazinyl}carbonothioyl)amino]-5-methyl-4-phenylthiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 149.65 Ų indicates high polarity, suggesting ethyl 2-[({2-[2-(3-methoxy-4-nitro-1H-pyrazol-1-yl)propanoyl]hydrazinyl}carbonothioyl)amino]-5-methyl-4-phenylthiophene-3-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ethyl 2-[({2-[2-(3-methoxy-4-nitro-1H-pyrazol-1-yl)propanoyl]hydrazinyl}carbonothioyl)amino]-5-methyl-4-phenylthiophene-3-carboxylate has 3 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 ethyl 2-[({2-[2-(3-methoxy-4-nitro-1H-pyrazol-1-yl)propanoyl]hydrazinyl}carbonothioyl)amino]-5-methyl-4-phenylthiophene-3-carboxylate?
The CAS number of ethyl 2-[({2-[2-(3-methoxy-4-nitro-1H-pyrazol-1-yl)propanoyl]hydrazinyl}carbonothioyl)amino]-5-methyl-4-phenylthiophene-3-carboxylate is 896255-54-2.
What is the molecular formula of ethyl 2-[({2-[2-(3-methoxy-4-nitro-1H-pyrazol-1-yl)propanoyl]hydrazinyl}carbonothioyl)amino]-5-methyl-4-phenylthiophene-3-carboxylate?
The molecular formula of ethyl 2-[({2-[2-(3-methoxy-4-nitro-1H-pyrazol-1-yl)propanoyl]hydrazinyl}carbonothioyl)amino]-5-methyl-4-phenylthiophene-3-carboxylate is C22H24N6O6S2.
What is the molecular weight of ethyl 2-[({2-[2-(3-methoxy-4-nitro-1H-pyrazol-1-yl)propanoyl]hydrazinyl}carbonothioyl)amino]-5-methyl-4-phenylthiophene-3-carboxylate?
The molecular weight of ethyl 2-[({2-[2-(3-methoxy-4-nitro-1H-pyrazol-1-yl)propanoyl]hydrazinyl}carbonothioyl)amino]-5-methyl-4-phenylthiophene-3-carboxylate is 532.12 g/mol.
Where can I buy ethyl 2-[({2-[2-(3-methoxy-4-nitro-1H-pyrazol-1-yl)propanoyl]hydrazinyl}carbonothioyl)amino]-5-methyl-4-phenylthiophene-3-carboxylate?
You can request a quote for ethyl 2-[({2-[2-(3-methoxy-4-nitro-1H-pyrazol-1-yl)propanoyl]hydrazinyl}carbonothioyl)amino]-5-methyl-4-phenylthiophene-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-[({2-[2-(3-methoxy-4-nitro-1H-pyrazol-1-yl)propanoyl]hydrazinyl}carbonothioyl)amino]-5-methyl-4-phenylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-[({2-[2-(3-methoxy-4-nitro-1H-pyrazol-1-yl)propanoyl]hydrazinyl}carbonothioyl)amino]-5-methyl-4-phenylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.