carbamothioyl}amino)-5-phenylthiophene-3-carboxylate structure](/static/products/5903/590353-36-9.webp)
ethyl 2-({[(1-ethyl-1H-pyrazol-4-yl)methyl](methyl)carbamothioyl}amino)-5-phenylthiophene-3-carboxylate
TL;DR: ethyl 2-({[(1-ethyl-1H-pyrazol-4-yl)methyl](methyl)carbamothioyl}amino)-5-phenylthiophene-3-carboxylate (CAS 590353-36-9) is a chemical compound with molecular formula C21H24N4O2S2 and molecular weight 428.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[(1-ethylpyrazol-4-yl)methyl-methylcarbamothioyl]amino]-5-phenylthiophene-3-carboxylate
Also Known As: ethyl 2-({[(1-ethyl-1H-pyrazol-4-yl)methyl](methyl)carbamothioyl}amino)-5-phenylthiophene-3-carboxylate, ethyl 2-(3-((1-ethyl-1H-pyrazol-4-yl)methyl)-3-methylthioureido)-5-phenylthiophene-3-carboxylate, ethyl 2-[({[(1-ethylpyrazol-4-yl)methyl]methylamino}thioxomethyl)amino]-5-phen ylthiophene-3-carboxylate, Ethyl 2-[[(1-ethylpyrazol-4-yl)methyl-methyl-thiocarbamoyl]amino]-5-phenyl-thiophene-3-carboxylate, ethyl 2-[[(1-ethylpyrazol-4-yl)methyl-methylcarbamothioyl]amino]-5-phenylthiophene-3-carboxylate
| Molecular Formula | C21H24N4O2S2 |
|---|---|
| Molecular Weight | 428.13 g/mol |
| LogP | 4.637 |
| Topological Polar Surface Area | 59.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 428.13406 |
| Heavy Atoms | 29 |
| Complexity | 981.7449 |
Chemical Identifiers
| CAS Number | 590353-36-9 |
|---|---|
| SMILES | CCN1C=C(C=N1)CN(C)C(=S)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OCC |
Product Overview
ethyl 2-({[(1-ethyl-1H-pyrazol-4-yl)methyl](methyl)carbamothioyl}amino)-5-phenylthiophene-3-carboxylate (CAS 590353-36-9), with molecular formula C21H24N4O2S2 and molecular weight 428.13 g/mol. IUPAC: ethyl 2-[[(1-ethylpyrazol-4-yl)methyl-methylcarbamothioyl]amino]-5-phenylthiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-({[(1-ethyl-1H-pyrazol-4-yl)methyl](methyl)carbamothioyl}amino)-5-phenylthiophene-3-carboxylate
Property Insights of ethyl 2-({[(1-ethyl-1H-pyrazol-4-yl)methyl](methyl)carbamothioyl}amino)-5-phenylthiophene-3-carboxylate
The XLogP value of 4.637 indicates that ethyl 2-({[(1-ethyl-1H-pyrazol-4-yl)methyl](methyl)carbamothioyl}amino)-5-phenylthiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.39 Ų, ethyl 2-({[(1-ethyl-1H-pyrazol-4-yl)methyl](methyl)carbamothioyl}amino)-5-phenylthiophene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 2-({[(1-ethyl-1H-pyrazol-4-yl)methyl](methyl)carbamothioyl}amino)-5-phenylthiophene-3-carboxylate has 1 hydrogen bond donor(s) and 5 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-({[(1-ethyl-1H-pyrazol-4-yl)methyl](methyl)carbamothioyl}amino)-5-phenylthiophene-3-carboxylate?
The CAS number of ethyl 2-({[(1-ethyl-1H-pyrazol-4-yl)methyl](methyl)carbamothioyl}amino)-5-phenylthiophene-3-carboxylate is 590353-36-9.
What is the molecular formula of ethyl 2-({[(1-ethyl-1H-pyrazol-4-yl)methyl](methyl)carbamothioyl}amino)-5-phenylthiophene-3-carboxylate?
The molecular formula of ethyl 2-({[(1-ethyl-1H-pyrazol-4-yl)methyl](methyl)carbamothioyl}amino)-5-phenylthiophene-3-carboxylate is C21H24N4O2S2.
What is the molecular weight of ethyl 2-({[(1-ethyl-1H-pyrazol-4-yl)methyl](methyl)carbamothioyl}amino)-5-phenylthiophene-3-carboxylate?
The molecular weight of ethyl 2-({[(1-ethyl-1H-pyrazol-4-yl)methyl](methyl)carbamothioyl}amino)-5-phenylthiophene-3-carboxylate is 428.13 g/mol.
Where can I buy ethyl 2-({[(1-ethyl-1H-pyrazol-4-yl)methyl](methyl)carbamothioyl}amino)-5-phenylthiophene-3-carboxylate?
You can request a quote for ethyl 2-({[(1-ethyl-1H-pyrazol-4-yl)methyl](methyl)carbamothioyl}amino)-5-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-({[(1-ethyl-1H-pyrazol-4-yl)methyl](methyl)carbamothioyl}amino)-5-phenylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-({[(1-ethyl-1H-pyrazol-4-yl)methyl](methyl)carbamothioyl}amino)-5-phenylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.