![ethyl 2-({1-[(4-methylphenyl)sulfonyl]-5-oxoprolyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate structure](/static/products/1008/1008483-12-2.webp)
ethyl 2-({1-[(4-methylphenyl)sulfonyl]-5-oxoprolyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
TL;DR: ethyl 2-({1-[(4-methylphenyl)sulfonyl]-5-oxoprolyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 1008483-12-2) is a chemical compound with molecular formula C23H26N2O6S2 and molecular weight 490.12323 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-[[1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: ethyl 2-({1-[(4-methylphenyl)sulfonyl]-5-oxoprolyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-(5-oxo-1-tosylpyrrolidine-2-carboxamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-[[1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Technical Specifications
| Molecular Formula | C23H26N2O6S2 |
| Molecular Weight | 490.12323 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 146.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 490.12323 Da |
| Heavy Atoms | 33 |
| Complexity | 865.0 |
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3CCC(=O)N3S(=O)(=O)C4=CC=C(C=C4)C |
| InChIKey | ZARLIKBUMWTUSE-UHFFFAOYSA-N |
Chemical Property Profile of ethyl 2-({1-[(4-methylphenyl)sulfonyl]-5-oxoprolyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Property Insights of ethyl 2-({1-[(4-methylphenyl)sulfonyl]-5-oxoprolyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
The XLogP value of 4.2 indicates that ethyl 2-({1-[(4-methylphenyl)sulfonyl]-5-oxoprolyl}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 146.0 Ų indicates high polarity, suggesting ethyl 2-({1-[(4-methylphenyl)sulfonyl]-5-oxoprolyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ethyl 2-({1-[(4-methylphenyl)sulfonyl]-5-oxoprolyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate has 1 hydrogen bond donor(s) and 7 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-({1-[(4-methylphenyl)sulfonyl]-5-oxoprolyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The CAS number of ethyl 2-({1-[(4-methylphenyl)sulfonyl]-5-oxoprolyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 1008483-12-2.
What is the molecular formula of ethyl 2-({1-[(4-methylphenyl)sulfonyl]-5-oxoprolyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular formula of ethyl 2-({1-[(4-methylphenyl)sulfonyl]-5-oxoprolyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is C23H26N2O6S2.
What is the molecular weight of ethyl 2-({1-[(4-methylphenyl)sulfonyl]-5-oxoprolyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular weight of ethyl 2-({1-[(4-methylphenyl)sulfonyl]-5-oxoprolyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 490.12323 g/mol.
Where can I buy ethyl 2-({1-[(4-methylphenyl)sulfonyl]-5-oxoprolyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
You can request a quote for ethyl 2-({1-[(4-methylphenyl)sulfonyl]-5-oxoprolyl}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-({1-[(4-methylphenyl)sulfonyl]-5-oxoprolyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
Yes, CoreyChem provides custom synthesis services for ethyl 2-({1-[(4-methylphenyl)sulfonyl]-5-oxoprolyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.