Ethyl 4-((2-carbamoylbenzofuran-3-yl)amino)-4-oxobutanoate
TL;DR: Ethyl 4-((2-carbamoylbenzofuran-3-yl)amino)-4-oxobutanoate (CAS 898372-86-6) is a chemical compound with molecular formula C15H16N2O5 and molecular weight 304.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(2-carbamoyl-1-benzofuran-3-yl)amino]-4-oxobutanoate
Also Known As: ethyl 4-((2-carbamoylbenzofuran-3-yl)amino)-4-oxobutanoate, ethyl 3-[(2-carbamoyl-1-benzofuran-3-yl)carbamoyl]propanoate, ethyl 4-[(2-carbamoyl-1-benzofuran-3-yl)amino]-4-oxobutanoate, F2688-0022
| Molecular Formula | C15H16N2O5 |
|---|---|
| Molecular Weight | 304.11 g/mol |
| LogP | 1.8135 |
| Topological Polar Surface Area | 111.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 304.10593 |
| Heavy Atoms | 22 |
| Complexity | 719.79114 |
Chemical Identifiers
| CAS Number | 898372-86-6 |
|---|---|
| SMILES | CCOC(=O)CCC(=O)NC1=C(OC2=CC=CC=C21)C(=O)N |
Product Overview
Ethyl 4-((2-carbamoylbenzofuran-3-yl)amino)-4-oxobutanoate (CAS 898372-86-6), with molecular formula C15H16N2O5 and molecular weight 304.11 g/mol. IUPAC: ethyl 4-[(2-carbamoyl-1-benzofuran-3-yl)amino]-4-oxobutanoate.
Chemical Property Profile of Ethyl 4-((2-carbamoylbenzofuran-3-yl)amino)-4-oxobutanoate
Property Insights of Ethyl 4-((2-carbamoylbenzofuran-3-yl)amino)-4-oxobutanoate
The XLogP value of 1.8135 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-((2-carbamoylbenzofuran-3-yl)amino)-4-oxobutanoate. The TPSA of 111.63 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-((2-carbamoylbenzofuran-3-yl)amino)-4-oxobutanoate. Following Lipinski's Rule of Five, Ethyl 4-((2-carbamoylbenzofuran-3-yl)amino)-4-oxobutanoate has 2 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 4-((2-carbamoylbenzofuran-3-yl)amino)-4-oxobutanoate?
The CAS number of Ethyl 4-((2-carbamoylbenzofuran-3-yl)amino)-4-oxobutanoate is 898372-86-6.
What is the molecular formula of Ethyl 4-((2-carbamoylbenzofuran-3-yl)amino)-4-oxobutanoate?
The molecular formula of Ethyl 4-((2-carbamoylbenzofuran-3-yl)amino)-4-oxobutanoate is C15H16N2O5.
What is the molecular weight of Ethyl 4-((2-carbamoylbenzofuran-3-yl)amino)-4-oxobutanoate?
The molecular weight of Ethyl 4-((2-carbamoylbenzofuran-3-yl)amino)-4-oxobutanoate is 304.11 g/mol.
Where can I buy Ethyl 4-((2-carbamoylbenzofuran-3-yl)amino)-4-oxobutanoate?
You can request a quote for Ethyl 4-((2-carbamoylbenzofuran-3-yl)amino)-4-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-((2-carbamoylbenzofuran-3-yl)amino)-4-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-((2-carbamoylbenzofuran-3-yl)amino)-4-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.