![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 411.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C19H23F2N3O3S |
|---|---|
| Molecular Weight | 411.14 g/mol |
| LogP | 4.5296 |
| Topological Polar Surface Area | 73.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 411.14282 |
| Heavy Atoms | 28 |
| Complexity | 898.8614 |
Chemical Identifiers
| CAS Number | 1005639-44-0 |
|---|---|
| SMILES | CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=NN(C=C3)C(F)F |
Product Overview
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), with molecular formula C19H23F2N3O3S and molecular weight 411.14 g/mol. IUPAC: methyl 6-tert-butyl-2-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
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 4.5296 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 73.22 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 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 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 411.14 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?
You can request a quote for METHYL 6-(TERT-BUTYL)-2-({[1-(DIFLUOROMETHYL)-1H-PYRAZOL-3-YL]CARBONYL}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 METHYL 6-(TERT-BUTYL)-2-({[1-(DIFLUOROMETHYL)-1H-PYRAZOL-3-YL]CARBONYL}AMINO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE?
Yes, KEHONG BIO 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.