![Methyl 6-(1,1-dimethylethyl)-2-[[(1-ethyl-1H-pyrazol-3-yl)carbonyl]amino]-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate structure](/static/products/5147/514799-07-6.webp)
Methyl 6-(1,1-dimethylethyl)-2-[[(1-ethyl-1H-pyrazol-3-yl)carbonyl]amino]-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
TL;DR: Methyl 6-(1,1-dimethylethyl)-2-[[(1-ethyl-1H-pyrazol-3-yl)carbonyl]amino]-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 514799-07-6) is a chemical compound with molecular formula C20H27N3O3S and molecular weight 389.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-tert-butyl-2-[(1-ethylpyrazole-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: Methyl 6-(1,1-dimethylethyl)-2-[[(1-ethyl-1H-pyrazol-3-yl)carbonyl]amino]-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, methyl 6-tert-butyl-2-{[(1-ethyl-1H-pyrazol-3-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, METHYL 6-(TERT-BUTYL)-2-{[(1-ETHYL-1H-PYRAZOL-3-YL)CARBONYL]AMINO}-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE, methyl 6-tert-butyl-2-[(1-ethylpyrazole-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C20H27N3O3S |
|---|---|
| Molecular Weight | 389.18 g/mol |
| LogP | 4.1544 |
| Topological Polar Surface Area | 73.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 389.1773 |
| Heavy Atoms | 27 |
| Complexity | 860.4392 |
Chemical Identifiers
| CAS Number | 514799-07-6 |
|---|---|
| SMILES | CCN1C=CC(=N1)C(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)OC |
Product Overview
Methyl 6-(1,1-dimethylethyl)-2-[[(1-ethyl-1H-pyrazol-3-yl)carbonyl]amino]-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 514799-07-6), with molecular formula C20H27N3O3S and molecular weight 389.18 g/mol. IUPAC: methyl 6-tert-butyl-2-[(1-ethylpyrazole-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of Methyl 6-(1,1-dimethylethyl)-2-[[(1-ethyl-1H-pyrazol-3-yl)carbonyl]amino]-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
Property Insights of Methyl 6-(1,1-dimethylethyl)-2-[[(1-ethyl-1H-pyrazol-3-yl)carbonyl]amino]-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
The XLogP value of 4.1544 indicates that Methyl 6-(1,1-dimethylethyl)-2-[[(1-ethyl-1H-pyrazol-3-yl)carbonyl]amino]-4,5,6,7-tetrahydrobenzo[b]thiophene-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-(1,1-dimethylethyl)-2-[[(1-ethyl-1H-pyrazol-3-yl)carbonyl]amino]-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate. Following Lipinski's Rule of Five, Methyl 6-(1,1-dimethylethyl)-2-[[(1-ethyl-1H-pyrazol-3-yl)carbonyl]amino]-4,5,6,7-tetrahydrobenzo[b]thiophene-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-(1,1-dimethylethyl)-2-[[(1-ethyl-1H-pyrazol-3-yl)carbonyl]amino]-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The CAS number of Methyl 6-(1,1-dimethylethyl)-2-[[(1-ethyl-1H-pyrazol-3-yl)carbonyl]amino]-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is 514799-07-6.
What is the molecular formula of Methyl 6-(1,1-dimethylethyl)-2-[[(1-ethyl-1H-pyrazol-3-yl)carbonyl]amino]-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The molecular formula of Methyl 6-(1,1-dimethylethyl)-2-[[(1-ethyl-1H-pyrazol-3-yl)carbonyl]amino]-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is C20H27N3O3S.
What is the molecular weight of Methyl 6-(1,1-dimethylethyl)-2-[[(1-ethyl-1H-pyrazol-3-yl)carbonyl]amino]-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The molecular weight of Methyl 6-(1,1-dimethylethyl)-2-[[(1-ethyl-1H-pyrazol-3-yl)carbonyl]amino]-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is 389.18 g/mol.
Where can I buy Methyl 6-(1,1-dimethylethyl)-2-[[(1-ethyl-1H-pyrazol-3-yl)carbonyl]amino]-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
You can request a quote for Methyl 6-(1,1-dimethylethyl)-2-[[(1-ethyl-1H-pyrazol-3-yl)carbonyl]amino]-4,5,6,7-tetrahydrobenzo[b]thiophene-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-(1,1-dimethylethyl)-2-[[(1-ethyl-1H-pyrazol-3-yl)carbonyl]amino]-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 6-(1,1-dimethylethyl)-2-[[(1-ethyl-1H-pyrazol-3-yl)carbonyl]amino]-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.