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Ethyl 3-[(2-thiophen-2-ylacetyl)amino]benzoate
TL;DR: Ethyl 3-[(2-thiophen-2-ylacetyl)amino]benzoate (CAS 349537-87-7) is a chemical compound with molecular formula C15H15NO3S and molecular weight 289.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[(2-thiophen-2-ylacetyl)amino]benzoate
Also Known As: BAS 03034090, ethyl 3-[(2-thienylacetyl)amino]benzoate, ethyl 3-[(2-thiophen-2-ylacetyl)amino]benzoate, ethyl 3-(2-(2-thienyl)acetylamino)benzoate, ethyl 3-[(thiophen-2-ylacetyl)amino]benzoate
| Molecular Formula | C15H15NO3S |
|---|---|
| Molecular Weight | 289.08 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 83.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 289.07727 |
| Heavy Atoms | 20 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 349537-87-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=CC=C1)NC(=O)CC2=CC=CS2 |
| InChIKey | WMFCMDYPXZVYGV-UHFFFAOYSA-N |
Product Overview
Ethyl 3-[(2-thiophen-2-ylacetyl)amino]benzoate (CAS 349537-87-7), with molecular formula C15H15NO3S and molecular weight 289.08 g/mol. IUPAC: ethyl 3-[(2-thiophen-2-ylacetyl)amino]benzoate.
Chemical Property Profile of Ethyl 3-[(2-thiophen-2-ylacetyl)amino]benzoate
Property Insights of Ethyl 3-[(2-thiophen-2-ylacetyl)amino]benzoate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-[(2-thiophen-2-ylacetyl)amino]benzoate. The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-[(2-thiophen-2-ylacetyl)amino]benzoate. Following Lipinski's Rule of Five, Ethyl 3-[(2-thiophen-2-ylacetyl)amino]benzoate 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 3-[(2-thiophen-2-ylacetyl)amino]benzoate?
The CAS number of Ethyl 3-[(2-thiophen-2-ylacetyl)amino]benzoate is 349537-87-7.
What is the molecular formula of Ethyl 3-[(2-thiophen-2-ylacetyl)amino]benzoate?
The molecular formula of Ethyl 3-[(2-thiophen-2-ylacetyl)amino]benzoate is C15H15NO3S.
What is the molecular weight of Ethyl 3-[(2-thiophen-2-ylacetyl)amino]benzoate?
The molecular weight of Ethyl 3-[(2-thiophen-2-ylacetyl)amino]benzoate is 289.08 g/mol.
Where can I buy Ethyl 3-[(2-thiophen-2-ylacetyl)amino]benzoate?
You can request a quote for Ethyl 3-[(2-thiophen-2-ylacetyl)amino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-[(2-thiophen-2-ylacetyl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-[(2-thiophen-2-ylacetyl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.