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Ethyl 3-[(chloroacetyl)amino]-1-benzofuran-2-carboxylate
TL;DR: Ethyl 3-[(chloroacetyl)amino]-1-benzofuran-2-carboxylate (CAS 401631-63-8) is a chemical compound with molecular formula C13H12ClNO4 and molecular weight 281.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[(2-chloroacetyl)amino]-1-benzofuran-2-carboxylate
Also Known As: ethyl 3-[(chloroacetyl)amino]-1-benzofuran-2-carboxylate, ETHYL 3-(2-CHLOROACETAMIDO)-1-BENZOFURAN-2-CARBOXYLATE, Ethyl 3-(2-chloroacetamido)benzofuran-2-carboxylate, ethyl 3-[(2-chloroacetyl)amino]-1-benzofuran-2-carboxylate, ethyl 3-(2-chloroacetylamino)benzo[d]furan-2-carboxylate
| Molecular Formula | C13H12ClNO4 |
|---|---|
| Molecular Weight | 281.05 g/mol |
| LogP | 2.7868 |
| Topological Polar Surface Area | 68.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 281.04547 |
| Heavy Atoms | 19 |
| Complexity | 620.1308 |
Chemical Identifiers
| CAS Number | 401631-63-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=CC=CC=C2O1)NC(=O)CCl |
Product Overview
Ethyl 3-[(chloroacetyl)amino]-1-benzofuran-2-carboxylate (CAS 401631-63-8), with molecular formula C13H12ClNO4 and molecular weight 281.05 g/mol. IUPAC: ethyl 3-[(2-chloroacetyl)amino]-1-benzofuran-2-carboxylate.
Chemical Property Profile of Ethyl 3-[(chloroacetyl)amino]-1-benzofuran-2-carboxylate
Property Insights of Ethyl 3-[(chloroacetyl)amino]-1-benzofuran-2-carboxylate
The XLogP value of 2.7868 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-[(chloroacetyl)amino]-1-benzofuran-2-carboxylate. The TPSA of 68.54 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-[(chloroacetyl)amino]-1-benzofuran-2-carboxylate. Following Lipinski's Rule of Five, Ethyl 3-[(chloroacetyl)amino]-1-benzofuran-2-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 3-[(chloroacetyl)amino]-1-benzofuran-2-carboxylate?
The CAS number of Ethyl 3-[(chloroacetyl)amino]-1-benzofuran-2-carboxylate is 401631-63-8.
What is the molecular formula of Ethyl 3-[(chloroacetyl)amino]-1-benzofuran-2-carboxylate?
The molecular formula of Ethyl 3-[(chloroacetyl)amino]-1-benzofuran-2-carboxylate is C13H12ClNO4.
What is the molecular weight of Ethyl 3-[(chloroacetyl)amino]-1-benzofuran-2-carboxylate?
The molecular weight of Ethyl 3-[(chloroacetyl)amino]-1-benzofuran-2-carboxylate is 281.05 g/mol.
Where can I buy Ethyl 3-[(chloroacetyl)amino]-1-benzofuran-2-carboxylate?
You can request a quote for Ethyl 3-[(chloroacetyl)amino]-1-benzofuran-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-[(chloroacetyl)amino]-1-benzofuran-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-[(chloroacetyl)amino]-1-benzofuran-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.