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Ethyl 2-propionamido-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
TL;DR: Ethyl 2-propionamido-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 62159-42-6) is a chemical compound with molecular formula C14H19NO3S and molecular weight 281.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(propanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: starbld0022007, BAS 00396564, ethyl 2-propionamido-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ETHYL 2-PROPANAMIDO-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE, ethyl 2-(propanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C14H19NO3S |
|---|---|
| Molecular Weight | 281.11 g/mol |
| LogP | 3.1521 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 281.10855 |
| Heavy Atoms | 19 |
| Complexity | 493.12567 |
Chemical Identifiers
| CAS Number | 62159-42-6 |
|---|---|
| SMILES | CCC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OCC |
Product Overview
Ethyl 2-propionamido-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 62159-42-6), with molecular formula C14H19NO3S and molecular weight 281.11 g/mol. IUPAC: ethyl 2-(propanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of Ethyl 2-propionamido-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
Property Insights of Ethyl 2-propionamido-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
The XLogP value of 3.1521 indicates that Ethyl 2-propionamido-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, Ethyl 2-propionamido-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-propionamido-4,5,6,7-tetrahydrobenzo[b]thiophene-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
Frequently Asked Questions
What is the CAS number of Ethyl 2-propionamido-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The CAS number of Ethyl 2-propionamido-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is 62159-42-6.
What is the molecular formula of Ethyl 2-propionamido-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The molecular formula of Ethyl 2-propionamido-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is C14H19NO3S.
What is the molecular weight of Ethyl 2-propionamido-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The molecular weight of Ethyl 2-propionamido-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is 281.11 g/mol.
Where can I buy Ethyl 2-propionamido-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
You can request a quote for Ethyl 2-propionamido-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 Ethyl 2-propionamido-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-propionamido-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.