ethyl 5-(N-((3-nitrophenyl)sulfonyl)butyramido)-2-phenylbenzofuran-3-carboxylate
TL;DR: ethyl 5-(N-((3-nitrophenyl)sulfonyl)butyramido)-2-phenylbenzofuran-3-carboxylate (CAS 448214-83-3) is a chemical compound with molecular formula C27H24N2O8S and molecular weight 536.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-[butanoyl-(3-nitrophenyl)sulfonylamino]-2-phenyl-1-benzofuran-3-carboxylate
Also Known As: F0808-2619, ethyl 5-[N-(3-nitrobenzenesulfonyl)butanamido]-2-phenyl-1-benzofuran-3-carboxylate, ethyl 5-(N-((3-nitrophenyl)sulfonyl)butyramido)-2-phenylbenzofuran-3-carboxylate, ethyl 5-[butanoyl-(3-nitrophenyl)sulfonylamino]-2-phenyl-1-benzofuran-3-carboxylate, Ethyl 5-[butanoyl-(3-nitrophenyl)sulfonyl-amino]-2-phenyl-benzofuran-3-carboxylate
| Molecular Formula | C27H24N2O8S |
|---|---|
| Molecular Weight | 536.13 g/mol |
| LogP | 5.7067 |
| Topological Polar Surface Area | 137.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 536.12537 |
| Heavy Atoms | 38 |
| Complexity | 1627.602 |
Chemical Identifiers
| CAS Number | 448214-83-3 |
|---|---|
| SMILES | CCCC(=O)N(C1=CC2=C(C=C1)OC(=C2C(=O)OCC)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-] |
Product Overview
ethyl 5-(N-((3-nitrophenyl)sulfonyl)butyramido)-2-phenylbenzofuran-3-carboxylate (CAS 448214-83-3), with molecular formula C27H24N2O8S and molecular weight 536.13 g/mol. IUPAC: ethyl 5-[butanoyl-(3-nitrophenyl)sulfonylamino]-2-phenyl-1-benzofuran-3-carboxylate.
Chemical Property Profile of ethyl 5-(N-((3-nitrophenyl)sulfonyl)butyramido)-2-phenylbenzofuran-3-carboxylate
Property Insights of ethyl 5-(N-((3-nitrophenyl)sulfonyl)butyramido)-2-phenylbenzofuran-3-carboxylate
The XLogP value of 5.7067 indicates that ethyl 5-(N-((3-nitrophenyl)sulfonyl)butyramido)-2-phenylbenzofuran-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 137.03 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 5-(N-((3-nitrophenyl)sulfonyl)butyramido)-2-phenylbenzofuran-3-carboxylate. Following Lipinski's Rule of Five, ethyl 5-(N-((3-nitrophenyl)sulfonyl)butyramido)-2-phenylbenzofuran-3-carboxylate has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 5-(N-((3-nitrophenyl)sulfonyl)butyramido)-2-phenylbenzofuran-3-carboxylate?
The CAS number of ethyl 5-(N-((3-nitrophenyl)sulfonyl)butyramido)-2-phenylbenzofuran-3-carboxylate is 448214-83-3.
What is the molecular formula of ethyl 5-(N-((3-nitrophenyl)sulfonyl)butyramido)-2-phenylbenzofuran-3-carboxylate?
The molecular formula of ethyl 5-(N-((3-nitrophenyl)sulfonyl)butyramido)-2-phenylbenzofuran-3-carboxylate is C27H24N2O8S.
What is the molecular weight of ethyl 5-(N-((3-nitrophenyl)sulfonyl)butyramido)-2-phenylbenzofuran-3-carboxylate?
The molecular weight of ethyl 5-(N-((3-nitrophenyl)sulfonyl)butyramido)-2-phenylbenzofuran-3-carboxylate is 536.13 g/mol.
Where can I buy ethyl 5-(N-((3-nitrophenyl)sulfonyl)butyramido)-2-phenylbenzofuran-3-carboxylate?
You can request a quote for ethyl 5-(N-((3-nitrophenyl)sulfonyl)butyramido)-2-phenylbenzofuran-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 5-(N-((3-nitrophenyl)sulfonyl)butyramido)-2-phenylbenzofuran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-(N-((3-nitrophenyl)sulfonyl)butyramido)-2-phenylbenzofuran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.