![3-[[Oxo(thiophen-2-yl)methyl]amino]-2-benzofurancarboxylic acid ethyl ester structure](/static/products/4774/477499-87-9.webp)
3-[[Oxo(thiophen-2-yl)methyl]amino]-2-benzofurancarboxylic acid ethyl ester
TL;DR: 3-[[Oxo(thiophen-2-yl)methyl]amino]-2-benzofurancarboxylic acid ethyl ester (CAS 477499-87-9) is a chemical compound with molecular formula C16H13NO4S and molecular weight 315.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(thiophene-2-carbonylamino)-1-benzofuran-2-carboxylate
Also Known As: IFLab1_003875, ethyl 3-(thiophene-2-amido)-1-benzofuran-2-carboxylate, ethyl 3-(thiophene-2-carbonylamino)-1-benzofuran-2-carboxylate, ethyl 3-(thiophene-2-carboxamido)benzofuran-2-carboxylate, 3-[[oxo(thiophen-2-yl)methyl]amino]-2-benzofurancarboxylic acid ethyl ester
| Molecular Formula | C16H13NO4S |
|---|---|
| Molecular Weight | 315.06 g/mol |
| LogP | 3.9233 |
| Topological Polar Surface Area | 68.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 315.05652 |
| Heavy Atoms | 22 |
| Complexity | 819.9134 |
Chemical Identifiers
| CAS Number | 477499-87-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=CC=CC=C2O1)NC(=O)C3=CC=CS3 |
Product Overview
3-[[Oxo(thiophen-2-yl)methyl]amino]-2-benzofurancarboxylic acid ethyl ester (CAS 477499-87-9), with molecular formula C16H13NO4S and molecular weight 315.06 g/mol. IUPAC: ethyl 3-(thiophene-2-carbonylamino)-1-benzofuran-2-carboxylate.
Chemical Property Profile of 3-[[Oxo(thiophen-2-yl)methyl]amino]-2-benzofurancarboxylic acid ethyl ester
Property Insights of 3-[[Oxo(thiophen-2-yl)methyl]amino]-2-benzofurancarboxylic acid ethyl ester
The XLogP value of 3.9233 indicates that 3-[[Oxo(thiophen-2-yl)methyl]amino]-2-benzofurancarboxylic acid ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[[Oxo(thiophen-2-yl)methyl]amino]-2-benzofurancarboxylic acid ethyl ester. Following Lipinski's Rule of Five, 3-[[Oxo(thiophen-2-yl)methyl]amino]-2-benzofurancarboxylic acid ethyl ester 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 3-[[Oxo(thiophen-2-yl)methyl]amino]-2-benzofurancarboxylic acid ethyl ester?
The CAS number of 3-[[Oxo(thiophen-2-yl)methyl]amino]-2-benzofurancarboxylic acid ethyl ester is 477499-87-9.
What is the molecular formula of 3-[[Oxo(thiophen-2-yl)methyl]amino]-2-benzofurancarboxylic acid ethyl ester?
The molecular formula of 3-[[Oxo(thiophen-2-yl)methyl]amino]-2-benzofurancarboxylic acid ethyl ester is C16H13NO4S.
What is the molecular weight of 3-[[Oxo(thiophen-2-yl)methyl]amino]-2-benzofurancarboxylic acid ethyl ester?
The molecular weight of 3-[[Oxo(thiophen-2-yl)methyl]amino]-2-benzofurancarboxylic acid ethyl ester is 315.06 g/mol.
Where can I buy 3-[[Oxo(thiophen-2-yl)methyl]amino]-2-benzofurancarboxylic acid ethyl ester?
You can request a quote for 3-[[Oxo(thiophen-2-yl)methyl]amino]-2-benzofurancarboxylic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[[Oxo(thiophen-2-yl)methyl]amino]-2-benzofurancarboxylic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-[[Oxo(thiophen-2-yl)methyl]amino]-2-benzofurancarboxylic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.