![METHYL 6-(TERT-BUTYL)-2-({[1-(DIFLUOROMETHYL)-1H-PYRAZOL-3-YL]CARBONYL}AMINO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE structure](/static/products/1005/1005639-44-0.webp)
METHYL 6-(TERT-BUTYL)-2-({[1-(DIFLUOROMETHYL)-1H-PYRAZOL-3-YL]CARBONYL}AMINO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE
TL;DR: METHYL 6-(TERT-BUTYL)-2-({[1-(DIFLUOROMETHYL)-1H-PYRAZOL-3-YL]CARBONYL}AMINO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE (CAS 1005639-44-0) is a chemical compound with molecular formula C19H23F2N3O3S and molecular weight 411.14282 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 6-tert-butyl-2-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: METHYL 6-(TERT-BUTYL)-2-({[1-(DIFLUOROMETHYL)-1H-PYRAZOL-3-YL]CARBONYL}AMINO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE, methyl 6-(tert-butyl)-2-(1-(difluoromethyl)-1H-pyrazole-3-carboxamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, methyl 6-tert-butyl-2-({[1-(difluoromethyl)-1H-pyrazol-3-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 6-tert-butyl-2-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Technical Specifications
| Molecular Formula | C19H23F2N3O3S |
| Molecular Weight | 411.14282 g/mol |
| XLogP | 5.5 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 411.14282 Da |
| Heavy Atoms | 28 |
| Complexity | 601.0 |
| SMILES | CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=NN(C=C3)C(F)F |
| InChIKey | XWIDOUYNTWJQBN-UHFFFAOYSA-N |
Chemical Property Profile of METHYL 6-(TERT-BUTYL)-2-({[1-(DIFLUOROMETHYL)-1H-PYRAZOL-3-YL]CARBONYL}AMINO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE
Property Insights of METHYL 6-(TERT-BUTYL)-2-({[1-(DIFLUOROMETHYL)-1H-PYRAZOL-3-YL]CARBONYL}AMINO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE
The XLogP value of 5.5 indicates that METHYL 6-(TERT-BUTYL)-2-({[1-(DIFLUOROMETHYL)-1H-PYRAZOL-3-YL]CARBONYL}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 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for METHYL 6-(TERT-BUTYL)-2-({[1-(DIFLUOROMETHYL)-1H-PYRAZOL-3-YL]CARBONYL}AMINO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE. Following Lipinski's Rule of Five, METHYL 6-(TERT-BUTYL)-2-({[1-(DIFLUOROMETHYL)-1H-PYRAZOL-3-YL]CARBONYL}AMINO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of METHYL 6-(TERT-BUTYL)-2-({[1-(DIFLUOROMETHYL)-1H-PYRAZOL-3-YL]CARBONYL}AMINO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE?
The CAS number of METHYL 6-(TERT-BUTYL)-2-({[1-(DIFLUOROMETHYL)-1H-PYRAZOL-3-YL]CARBONYL}AMINO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE is 1005639-44-0.
What is the molecular formula of METHYL 6-(TERT-BUTYL)-2-({[1-(DIFLUOROMETHYL)-1H-PYRAZOL-3-YL]CARBONYL}AMINO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE?
The molecular formula of METHYL 6-(TERT-BUTYL)-2-({[1-(DIFLUOROMETHYL)-1H-PYRAZOL-3-YL]CARBONYL}AMINO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE is C19H23F2N3O3S.
What is the molecular weight of METHYL 6-(TERT-BUTYL)-2-({[1-(DIFLUOROMETHYL)-1H-PYRAZOL-3-YL]CARBONYL}AMINO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE?
The molecular weight of METHYL 6-(TERT-BUTYL)-2-({[1-(DIFLUOROMETHYL)-1H-PYRAZOL-3-YL]CARBONYL}AMINO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE is 411.14282 g/mol.
Where can I buy METHYL 6-(TERT-BUTYL)-2-({[1-(DIFLUOROMETHYL)-1H-PYRAZOL-3-YL]CARBONYL}AMINO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE?
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Does CoreyChem offer custom synthesis for METHYL 6-(TERT-BUTYL)-2-({[1-(DIFLUOROMETHYL)-1H-PYRAZOL-3-YL]CARBONYL}AMINO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE?
Yes, CoreyChem provides custom synthesis services for METHYL 6-(TERT-BUTYL)-2-({[1-(DIFLUOROMETHYL)-1H-PYRAZOL-3-YL]CARBONYL}AMINO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.