![ethyl 2-({[(4-bromo-1-ethyl-1H-pyrazol-3-yl)carbonyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate structure](/static/products/4924/492425-65-7.webp)
ethyl 2-({[(4-bromo-1-ethyl-1H-pyrazol-3-yl)carbonyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
TL;DR: ethyl 2-({[(4-bromo-1-ethyl-1H-pyrazol-3-yl)carbonyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 492425-65-7) is a chemical compound with molecular formula C18H21BrN4O3S2 and molecular weight 484.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(4-bromo-1-ethylpyrazole-3-carbonyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: ethyl 2-({[(4-bromo-1-ethyl-1H-pyrazol-3-yl)carbonyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-[({[(4-bromo-1-ethyl-1H-pyrazol-3-yl)carbonyl]amino}carbothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-[(4-bromo-1-ethylpyrazole-3-carbonyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-(3-(4-bromo-1-ethyl-1H-pyrazole-3-carbonyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
| Molecular Formula | C18H21BrN4O3S2 |
|---|---|
| Molecular Weight | 484.02 g/mol |
| LogP | 3.9093 |
| Topological Polar Surface Area | 85.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 484.02386 |
| Heavy Atoms | 28 |
| Complexity | 922.3176 |
Chemical Identifiers
| CAS Number | 492425-65-7 |
|---|---|
| SMILES | CCN1C=C(C(=N1)C(=O)NC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)OCC)Br |
Product Overview
ethyl 2-({[(4-bromo-1-ethyl-1H-pyrazol-3-yl)carbonyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 492425-65-7), with molecular formula C18H21BrN4O3S2 and molecular weight 484.02 g/mol. IUPAC: ethyl 2-[(4-bromo-1-ethylpyrazole-3-carbonyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-({[(4-bromo-1-ethyl-1H-pyrazol-3-yl)carbonyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Property Insights of ethyl 2-({[(4-bromo-1-ethyl-1H-pyrazol-3-yl)carbonyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
The XLogP value of 3.9093 indicates that ethyl 2-({[(4-bromo-1-ethyl-1H-pyrazol-3-yl)carbonyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.25 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-({[(4-bromo-1-ethyl-1H-pyrazol-3-yl)carbonyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2-({[(4-bromo-1-ethyl-1H-pyrazol-3-yl)carbonyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate has 2 hydrogen bond donor(s) and 6 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-({[(4-bromo-1-ethyl-1H-pyrazol-3-yl)carbonyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The CAS number of ethyl 2-({[(4-bromo-1-ethyl-1H-pyrazol-3-yl)carbonyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 492425-65-7.
What is the molecular formula of ethyl 2-({[(4-bromo-1-ethyl-1H-pyrazol-3-yl)carbonyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular formula of ethyl 2-({[(4-bromo-1-ethyl-1H-pyrazol-3-yl)carbonyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is C18H21BrN4O3S2.
What is the molecular weight of ethyl 2-({[(4-bromo-1-ethyl-1H-pyrazol-3-yl)carbonyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular weight of ethyl 2-({[(4-bromo-1-ethyl-1H-pyrazol-3-yl)carbonyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 484.02 g/mol.
Where can I buy ethyl 2-({[(4-bromo-1-ethyl-1H-pyrazol-3-yl)carbonyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
You can request a quote for ethyl 2-({[(4-bromo-1-ethyl-1H-pyrazol-3-yl)carbonyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-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-({[(4-bromo-1-ethyl-1H-pyrazol-3-yl)carbonyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-({[(4-bromo-1-ethyl-1H-pyrazol-3-yl)carbonyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.