methyl 2-(3-((1-ethyl-1H-pyrazol-4-yl)methyl)thioureido)-5-methylthiophene-3-carboxylate
TL;DR: methyl 2-(3-((1-ethyl-1H-pyrazol-4-yl)methyl)thioureido)-5-methylthiophene-3-carboxylate (CAS 588713-82-0) is a chemical compound with molecular formula C14H18N4O2S2 and molecular weight 338.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(1-ethylpyrazol-4-yl)methylcarbamothioylamino]-5-methylthiophene-3-carboxylate
Also Known As: methyl 2-(3-((1-ethyl-1H-pyrazol-4-yl)methyl)thioureido)-5-methylthiophene-3-carboxylate, methyl 2-[(1-ethylpyrazol-4-yl)methylcarbamothioylamino]-5-methylthiophene-3-carboxylate, Methyl 2-[(1-ethylpyrazol-4-yl)methylthiocarbamoylamino]-5-methyl-thiophene-3-carboxylate, methyl 2-({[(1-ethyl-1H-pyrazol-4-yl)methyl]carbamothioyl}amino)-5-methylthiophene-3-carboxylate, methyl 2-[({[(1-ethylpyrazol-4-yl)methyl]amino}thioxomethyl)amino]-5-methylthi ophene-3-carboxylate
| Molecular Formula | C14H18N4O2S2 |
|---|---|
| Molecular Weight | 338.09 g/mol |
| LogP | 2.54612 |
| Topological Polar Surface Area | 68.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 338.08713 |
| Heavy Atoms | 22 |
| Complexity | 678.19086 |
Chemical Identifiers
| CAS Number | 588713-82-0 |
|---|---|
| SMILES | CCN1C=C(C=N1)CNC(=S)NC2=C(C=C(S2)C)C(=O)OC |
Product Overview
methyl 2-(3-((1-ethyl-1H-pyrazol-4-yl)methyl)thioureido)-5-methylthiophene-3-carboxylate (CAS 588713-82-0), with molecular formula C14H18N4O2S2 and molecular weight 338.09 g/mol. IUPAC: methyl 2-[(1-ethylpyrazol-4-yl)methylcarbamothioylamino]-5-methylthiophene-3-carboxylate.
Chemical Property Profile of methyl 2-(3-((1-ethyl-1H-pyrazol-4-yl)methyl)thioureido)-5-methylthiophene-3-carboxylate
Property Insights of methyl 2-(3-((1-ethyl-1H-pyrazol-4-yl)methyl)thioureido)-5-methylthiophene-3-carboxylate
The XLogP value of 2.54612 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-(3-((1-ethyl-1H-pyrazol-4-yl)methyl)thioureido)-5-methylthiophene-3-carboxylate. The TPSA of 68.18 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-(3-((1-ethyl-1H-pyrazol-4-yl)methyl)thioureido)-5-methylthiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 2-(3-((1-ethyl-1H-pyrazol-4-yl)methyl)thioureido)-5-methylthiophene-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 methyl 2-(3-((1-ethyl-1H-pyrazol-4-yl)methyl)thioureido)-5-methylthiophene-3-carboxylate?
The CAS number of methyl 2-(3-((1-ethyl-1H-pyrazol-4-yl)methyl)thioureido)-5-methylthiophene-3-carboxylate is 588713-82-0.
What is the molecular formula of methyl 2-(3-((1-ethyl-1H-pyrazol-4-yl)methyl)thioureido)-5-methylthiophene-3-carboxylate?
The molecular formula of methyl 2-(3-((1-ethyl-1H-pyrazol-4-yl)methyl)thioureido)-5-methylthiophene-3-carboxylate is C14H18N4O2S2.
What is the molecular weight of methyl 2-(3-((1-ethyl-1H-pyrazol-4-yl)methyl)thioureido)-5-methylthiophene-3-carboxylate?
The molecular weight of methyl 2-(3-((1-ethyl-1H-pyrazol-4-yl)methyl)thioureido)-5-methylthiophene-3-carboxylate is 338.09 g/mol.
Where can I buy methyl 2-(3-((1-ethyl-1H-pyrazol-4-yl)methyl)thioureido)-5-methylthiophene-3-carboxylate?
You can request a quote for methyl 2-(3-((1-ethyl-1H-pyrazol-4-yl)methyl)thioureido)-5-methylthiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-(3-((1-ethyl-1H-pyrazol-4-yl)methyl)thioureido)-5-methylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(3-((1-ethyl-1H-pyrazol-4-yl)methyl)thioureido)-5-methylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.