![ethyl 2-[({[(1-ethyl-5-methylpyrazol-4-yl)methyl]methylamino}thioxomethyl)amin o]-5-benzylthiophene-3-carboxylate structure](/static/products/5886/588697-86-3.webp)
ethyl 2-[({[(1-ethyl-5-methylpyrazol-4-yl)methyl]methylamino}thioxomethyl)amin o]-5-benzylthiophene-3-carboxylate
TL;DR: ethyl 2-[({[(1-ethyl-5-methylpyrazol-4-yl)methyl]methylamino}thioxomethyl)amin o]-5-benzylthiophene-3-carboxylate (CAS 588697-86-3) is a chemical compound with molecular formula C23H28N4O2S2 and molecular weight 456.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-benzyl-2-[[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylcarbamothioyl]amino]thiophene-3-carboxylate
Also Known As: ethyl 2-[({[(1-ethyl-5-methylpyrazol-4-yl)methyl]methylamino}thioxomethyl)amin o]-5-benzylthiophene-3-carboxylate, ethyl 5-benzyl-2-({[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl](methyl)carbamothioyl}amino)thiophene-3-carboxylate, ethyl 5-benzyl-2-(3-((1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl)-3-methylthioureido)thiophene-3-carboxylate, ethyl 5-benzyl-2-[[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylcarbamothioyl]amino]thiophene-3-carboxylate
| Molecular Formula | C23H28N4O2S2 |
|---|---|
| Molecular Weight | 456.17 g/mol |
| LogP | 4.86922 |
| Topological Polar Surface Area | 59.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 456.16537 |
| Heavy Atoms | 31 |
| Complexity | 1043.2863 |
Chemical Identifiers
| CAS Number | 588697-86-3 |
|---|---|
| SMILES | CCN1C(=C(C=N1)CN(C)C(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OCC)C |
Product Overview
ethyl 2-[({[(1-ethyl-5-methylpyrazol-4-yl)methyl]methylamino}thioxomethyl)amin o]-5-benzylthiophene-3-carboxylate (CAS 588697-86-3), with molecular formula C23H28N4O2S2 and molecular weight 456.17 g/mol. IUPAC: ethyl 5-benzyl-2-[[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylcarbamothioyl]amino]thiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-[({[(1-ethyl-5-methylpyrazol-4-yl)methyl]methylamino}thioxomethyl)amin o]-5-benzylthiophene-3-carboxylate
Property Insights of ethyl 2-[({[(1-ethyl-5-methylpyrazol-4-yl)methyl]methylamino}thioxomethyl)amin o]-5-benzylthiophene-3-carboxylate
The XLogP value of 4.86922 indicates that ethyl 2-[({[(1-ethyl-5-methylpyrazol-4-yl)methyl]methylamino}thioxomethyl)amin o]-5-benzylthiophene-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-5-methylpyrazol-4-yl)methyl]methylamino}thioxomethyl)amin o]-5-benzylthiophene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 2-[({[(1-ethyl-5-methylpyrazol-4-yl)methyl]methylamino}thioxomethyl)amin o]-5-benzylthiophene-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-5-methylpyrazol-4-yl)methyl]methylamino}thioxomethyl)amin o]-5-benzylthiophene-3-carboxylate?
The CAS number of ethyl 2-[({[(1-ethyl-5-methylpyrazol-4-yl)methyl]methylamino}thioxomethyl)amin o]-5-benzylthiophene-3-carboxylate is 588697-86-3.
What is the molecular formula of ethyl 2-[({[(1-ethyl-5-methylpyrazol-4-yl)methyl]methylamino}thioxomethyl)amin o]-5-benzylthiophene-3-carboxylate?
The molecular formula of ethyl 2-[({[(1-ethyl-5-methylpyrazol-4-yl)methyl]methylamino}thioxomethyl)amin o]-5-benzylthiophene-3-carboxylate is C23H28N4O2S2.
What is the molecular weight of ethyl 2-[({[(1-ethyl-5-methylpyrazol-4-yl)methyl]methylamino}thioxomethyl)amin o]-5-benzylthiophene-3-carboxylate?
The molecular weight of ethyl 2-[({[(1-ethyl-5-methylpyrazol-4-yl)methyl]methylamino}thioxomethyl)amin o]-5-benzylthiophene-3-carboxylate is 456.17 g/mol.
Where can I buy ethyl 2-[({[(1-ethyl-5-methylpyrazol-4-yl)methyl]methylamino}thioxomethyl)amin o]-5-benzylthiophene-3-carboxylate?
You can request a quote for ethyl 2-[({[(1-ethyl-5-methylpyrazol-4-yl)methyl]methylamino}thioxomethyl)amin o]-5-benzylthiophene-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-5-methylpyrazol-4-yl)methyl]methylamino}thioxomethyl)amin o]-5-benzylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-[({[(1-ethyl-5-methylpyrazol-4-yl)methyl]methylamino}thioxomethyl)amin o]-5-benzylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.