Ethyl 7-oxo-2-(propanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
TL;DR: Ethyl 7-oxo-2-(propanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 108940-06-3) is a chemical compound with molecular formula C14H17NO4S and molecular weight 295.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 7-oxo-2-(propanoylamino)-5,6-dihydro-4H-1-benzothiophene-3-carboxylate
Also Known As: BAS 00488442, ethyl 7-oxo-2-propanamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, AB01284729-01, ethyl 7-oxo-2-(propanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, AF-966/00550004
| Molecular Formula | C14H17NO4S |
|---|---|
| Molecular Weight | 295.09 g/mol |
| LogP | 2.7923 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 295.08783 |
| Heavy Atoms | 20 |
| Complexity | 561.76526 |
Chemical Identifiers
| CAS Number | 108940-06-3 |
|---|---|
| SMILES | CCC(=O)NC1=C(C2=C(S1)C(=O)CCC2)C(=O)OCC |
Product Overview
Ethyl 7-oxo-2-(propanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 108940-06-3), with molecular formula C14H17NO4S and molecular weight 295.09 g/mol. IUPAC: ethyl 7-oxo-2-(propanoylamino)-5,6-dihydro-4H-1-benzothiophene-3-carboxylate.
Chemical Property Profile of Ethyl 7-oxo-2-(propanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Property Insights of Ethyl 7-oxo-2-(propanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
The XLogP value of 2.7923 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 7-oxo-2-(propanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate. The TPSA of 72.47 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 7-oxo-2-(propanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 7-oxo-2-(propanoylamino)-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 Ethyl 7-oxo-2-(propanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The CAS number of Ethyl 7-oxo-2-(propanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 108940-06-3.
What is the molecular formula of Ethyl 7-oxo-2-(propanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular formula of Ethyl 7-oxo-2-(propanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is C14H17NO4S.
What is the molecular weight of Ethyl 7-oxo-2-(propanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular weight of Ethyl 7-oxo-2-(propanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 295.09 g/mol.
Where can I buy Ethyl 7-oxo-2-(propanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
You can request a quote for Ethyl 7-oxo-2-(propanoylamino)-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 Ethyl 7-oxo-2-(propanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 7-oxo-2-(propanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.