![ethyl 2-{[(4,7,7-trimethyl-2,3-dioxobicyclo[2.2.1]hept-1-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate structure](/static/products/1212/1212475-20-1.webp)
ethyl 2-{[(4,7,7-trimethyl-2,3-dioxobicyclo[2.2.1]hept-1-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
TL;DR: ethyl 2-{[(4,7,7-trimethyl-2,3-dioxobicyclo[2.2.1]hept-1-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 1212475-20-1) is a chemical compound with molecular formula C22H27NO5S and molecular weight 417.16098 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-[(4,7,7-trimethyl-2,3-dioxobicyclo[2.2.1]heptane-1-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: ethyl 2-{[(4,7,7-trimethyl-2,3-dioxobicyclo[2.2.1]hept-1-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-((1R,4R)-4,7,7-trimethyl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-[(1,7,7-trimethyl-2,3-dioxobicyclo[2.2.1]heptane-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-[(4,7,7-trimethyl-2,3-dioxobicyclo[2.2.1]heptyl)carbonylamino]-4,5,6,7 -tetrahydrobenzo[b]thiophene-3-carboxylate
Technical Specifications
| Molecular Formula | C22H27NO5S |
| Molecular Weight | 417.16098 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 118.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 417.16098 Da |
| Heavy Atoms | 29 |
| Complexity | 779.0 |
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C34CCC(C3(C)C)(C(=O)C4=O)C |
| InChIKey | HBRHOWIYIMLVAF-UHFFFAOYSA-N |
Chemical Property Profile of ethyl 2-{[(4,7,7-trimethyl-2,3-dioxobicyclo[2.2.1]hept-1-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Property Insights of ethyl 2-{[(4,7,7-trimethyl-2,3-dioxobicyclo[2.2.1]hept-1-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
The XLogP value of 4.2 indicates that ethyl 2-{[(4,7,7-trimethyl-2,3-dioxobicyclo[2.2.1]hept-1-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 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-{[(4,7,7-trimethyl-2,3-dioxobicyclo[2.2.1]hept-1-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2-{[(4,7,7-trimethyl-2,3-dioxobicyclo[2.2.1]hept-1-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of ethyl 2-{[(4,7,7-trimethyl-2,3-dioxobicyclo[2.2.1]hept-1-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The CAS number of ethyl 2-{[(4,7,7-trimethyl-2,3-dioxobicyclo[2.2.1]hept-1-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 1212475-20-1.
What is the molecular formula of ethyl 2-{[(4,7,7-trimethyl-2,3-dioxobicyclo[2.2.1]hept-1-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular formula of ethyl 2-{[(4,7,7-trimethyl-2,3-dioxobicyclo[2.2.1]hept-1-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is C22H27NO5S.
What is the molecular weight of ethyl 2-{[(4,7,7-trimethyl-2,3-dioxobicyclo[2.2.1]hept-1-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular weight of ethyl 2-{[(4,7,7-trimethyl-2,3-dioxobicyclo[2.2.1]hept-1-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 417.16098 g/mol.
Where can I buy ethyl 2-{[(4,7,7-trimethyl-2,3-dioxobicyclo[2.2.1]hept-1-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
You can request a quote for ethyl 2-{[(4,7,7-trimethyl-2,3-dioxobicyclo[2.2.1]hept-1-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ethyl 2-{[(4,7,7-trimethyl-2,3-dioxobicyclo[2.2.1]hept-1-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
Yes, CoreyChem provides custom synthesis services for ethyl 2-{[(4,7,7-trimethyl-2,3-dioxobicyclo[2.2.1]hept-1-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.