![ethyl 2-[({[(1,5-dimethylpyrazol-3-yl)methyl]amino}thioxomethyl)amino]-5-benzy lthiophene-3-carboxylate structure](/static/products/896/896272-62-1.png)
ethyl 2-[({[(1,5-dimethylpyrazol-3-yl)methyl]amino}thioxomethyl)amino]-5-benzy lthiophene-3-carboxylate
TL;DR: ethyl 2-[({[(1,5-dimethylpyrazol-3-yl)methyl]amino}thioxomethyl)amino]-5-benzy lthiophene-3-carboxylate (CAS 896272-62-1) 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 5-benzyl-2-[(1,5-dimethylpyrazol-3-yl)methylcarbamothioylamino]thiophene-3-carboxylate
Also Known As: ethyl 2-[({[(1,5-dimethylpyrazol-3-yl)methyl]amino}thioxomethyl)amino]-5-benzy lthiophene-3-carboxylate, ethyl 5-benzyl-2-({[(1,5-dimethyl-1H-pyrazol-3-yl)methyl]carbamothioyl}amino)thiophene-3-carboxylate, ethyl 5-benzyl-2-(3-((1,5-dimethyl-1H-pyrazol-3-yl)methyl)thioureido)thiophene-3-carboxylate, ethyl 5-benzyl-2-[(1,5-dimethylpyrazol-3-yl)methylcarbamothioylamino]thiophene-3-carboxylate
| Molecular Formula | C21H24N4O2S2 |
|---|---|
| Molecular Weight | 428.13 g/mol |
| LogP | 4.04412 |
| Topological Polar Surface Area | 68.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 428.13406 |
| Heavy Atoms | 29 |
| Complexity | 976.0372 |
Chemical Identifiers
| CAS Number | 896272-62-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NCC3=NN(C(=C3)C)C |
Product Overview
ethyl 2-[({[(1,5-dimethylpyrazol-3-yl)methyl]amino}thioxomethyl)amino]-5-benzy lthiophene-3-carboxylate (CAS 896272-62-1), with molecular formula C21H24N4O2S2 and molecular weight 428.13 g/mol. IUPAC: ethyl 5-benzyl-2-[(1,5-dimethylpyrazol-3-yl)methylcarbamothioylamino]thiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-[({[(1,5-dimethylpyrazol-3-yl)methyl]amino}thioxomethyl)amino]-5-benzy lthiophene-3-carboxylate
Property Insights of ethyl 2-[({[(1,5-dimethylpyrazol-3-yl)methyl]amino}thioxomethyl)amino]-5-benzy lthiophene-3-carboxylate
The XLogP value of 4.04412 indicates that ethyl 2-[({[(1,5-dimethylpyrazol-3-yl)methyl]amino}thioxomethyl)amino]-5-benzy lthiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.18 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-[({[(1,5-dimethylpyrazol-3-yl)methyl]amino}thioxomethyl)amino]-5-benzy lthiophene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2-[({[(1,5-dimethylpyrazol-3-yl)methyl]amino}thioxomethyl)amino]-5-benzy lthiophene-3-carboxylate has 2 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-[({[(1,5-dimethylpyrazol-3-yl)methyl]amino}thioxomethyl)amino]-5-benzy lthiophene-3-carboxylate?
The CAS number of ethyl 2-[({[(1,5-dimethylpyrazol-3-yl)methyl]amino}thioxomethyl)amino]-5-benzy lthiophene-3-carboxylate is 896272-62-1.
What is the molecular formula of ethyl 2-[({[(1,5-dimethylpyrazol-3-yl)methyl]amino}thioxomethyl)amino]-5-benzy lthiophene-3-carboxylate?
The molecular formula of ethyl 2-[({[(1,5-dimethylpyrazol-3-yl)methyl]amino}thioxomethyl)amino]-5-benzy lthiophene-3-carboxylate is C21H24N4O2S2.
What is the molecular weight of ethyl 2-[({[(1,5-dimethylpyrazol-3-yl)methyl]amino}thioxomethyl)amino]-5-benzy lthiophene-3-carboxylate?
The molecular weight of ethyl 2-[({[(1,5-dimethylpyrazol-3-yl)methyl]amino}thioxomethyl)amino]-5-benzy lthiophene-3-carboxylate is 428.13 g/mol.
Where can I buy ethyl 2-[({[(1,5-dimethylpyrazol-3-yl)methyl]amino}thioxomethyl)amino]-5-benzy lthiophene-3-carboxylate?
You can request a quote for ethyl 2-[({[(1,5-dimethylpyrazol-3-yl)methyl]amino}thioxomethyl)amino]-5-benzy lthiophene-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-[({[(1,5-dimethylpyrazol-3-yl)methyl]amino}thioxomethyl)amino]-5-benzy lthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-[({[(1,5-dimethylpyrazol-3-yl)methyl]amino}thioxomethyl)amino]-5-benzy lthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.