Ethyl 2-(butanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
TL;DR: Ethyl 2-(butanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 106807-64-1) is a chemical compound with molecular formula C15H21NO3S and molecular weight 295.1242 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-(butanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BIM-0014985.P001, ethyl 2-(butanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-(butanoylamino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-butyramido-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ETHYL 2-BUTANAMIDO-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE
Technical Specifications
| Molecular Formula | C15H21NO3S |
| Molecular Weight | 295.1242 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 83.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 295.1242 Da |
| Heavy Atoms | 20 |
| Complexity | 361.0 |
| SMILES | CCCC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OCC |
| InChIKey | LSCFFQUJZVINKI-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 2-(butanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Property Insights of Ethyl 2-(butanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
The XLogP value of 3.9 indicates that Ethyl 2-(butanoylamino)-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 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(butanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 2-(butanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate has 1 hydrogen bond donor(s) and 4 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-(butanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The CAS number of Ethyl 2-(butanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 106807-64-1.
What is the molecular formula of Ethyl 2-(butanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular formula of Ethyl 2-(butanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is C15H21NO3S.
What is the molecular weight of Ethyl 2-(butanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular weight of Ethyl 2-(butanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 295.1242 g/mol.
Where can I buy Ethyl 2-(butanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
You can request a quote for Ethyl 2-(butanoylamino)-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-(butanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
Yes, CoreyChem provides custom synthesis services for Ethyl 2-(butanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.