Ethyl 4-((2-((3,4-difluorophenyl)carbamoyl)benzofuran-3-yl)amino)-4-oxobutanoate
TL;DR: Ethyl 4-((2-((3,4-difluorophenyl)carbamoyl)benzofuran-3-yl)amino)-4-oxobutanoate (CAS 888453-89-2) is a chemical compound with molecular formula C21H18F2N2O5 and molecular weight 416.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[(3,4-difluorophenyl)carbamoyl]-1-benzofuran-3-yl]amino]-4-oxobutanoate
Also Known As: AB00677210-01, F1883-0909, ethyl 3-({2-[(3,4-difluorophenyl)carbamoyl]-1-benzofuran-3-yl}carbamoyl)propanoate, ethyl 4-((2-((3,4-difluorophenyl)carbamoyl)benzofuran-3-yl)amino)-4-oxobutanoate, ethyl 4-[[2-[(3,4-difluorophenyl)carbamoyl]-1-benzofuran-3-yl]amino]-4-oxobutanoate
| Molecular Formula | C21H18F2N2O5 |
|---|---|
| Molecular Weight | 416.12 g/mol |
| LogP | 4.2451 |
| Topological Polar Surface Area | 97.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 416.11838 |
| Heavy Atoms | 30 |
| Complexity | 1109.9698 |
Chemical Identifiers
| CAS Number | 888453-89-2 |
|---|---|
| SMILES | CCOC(=O)CCC(=O)NC1=C(OC2=CC=CC=C21)C(=O)NC3=CC(=C(C=C3)F)F |
Product Overview
Ethyl 4-((2-((3,4-difluorophenyl)carbamoyl)benzofuran-3-yl)amino)-4-oxobutanoate (CAS 888453-89-2), with molecular formula C21H18F2N2O5 and molecular weight 416.12 g/mol. IUPAC: ethyl 4-[[2-[(3,4-difluorophenyl)carbamoyl]-1-benzofuran-3-yl]amino]-4-oxobutanoate.
Chemical Property Profile of Ethyl 4-((2-((3,4-difluorophenyl)carbamoyl)benzofuran-3-yl)amino)-4-oxobutanoate
Property Insights of Ethyl 4-((2-((3,4-difluorophenyl)carbamoyl)benzofuran-3-yl)amino)-4-oxobutanoate
The XLogP value of 4.2451 indicates that Ethyl 4-((2-((3,4-difluorophenyl)carbamoyl)benzofuran-3-yl)amino)-4-oxobutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.64 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-((2-((3,4-difluorophenyl)carbamoyl)benzofuran-3-yl)amino)-4-oxobutanoate. Following Lipinski's Rule of Five, Ethyl 4-((2-((3,4-difluorophenyl)carbamoyl)benzofuran-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-((3,4-difluorophenyl)carbamoyl)benzofuran-3-yl)amino)-4-oxobutanoate?
The CAS number of Ethyl 4-((2-((3,4-difluorophenyl)carbamoyl)benzofuran-3-yl)amino)-4-oxobutanoate is 888453-89-2.
What is the molecular formula of Ethyl 4-((2-((3,4-difluorophenyl)carbamoyl)benzofuran-3-yl)amino)-4-oxobutanoate?
The molecular formula of Ethyl 4-((2-((3,4-difluorophenyl)carbamoyl)benzofuran-3-yl)amino)-4-oxobutanoate is C21H18F2N2O5.
What is the molecular weight of Ethyl 4-((2-((3,4-difluorophenyl)carbamoyl)benzofuran-3-yl)amino)-4-oxobutanoate?
The molecular weight of Ethyl 4-((2-((3,4-difluorophenyl)carbamoyl)benzofuran-3-yl)amino)-4-oxobutanoate is 416.12 g/mol.
Where can I buy Ethyl 4-((2-((3,4-difluorophenyl)carbamoyl)benzofuran-3-yl)amino)-4-oxobutanoate?
You can request a quote for Ethyl 4-((2-((3,4-difluorophenyl)carbamoyl)benzofuran-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-((3,4-difluorophenyl)carbamoyl)benzofuran-3-yl)amino)-4-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-((2-((3,4-difluorophenyl)carbamoyl)benzofuran-3-yl)amino)-4-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.