ethyl 2-methyl-5-(3-nitro-N-tosylbenzamido)benzofuran-3-carboxylate
TL;DR: ethyl 2-methyl-5-(3-nitro-N-tosylbenzamido)benzofuran-3-carboxylate (CAS 397281-38-8) is a chemical compound with molecular formula C26H22N2O8S and molecular weight 522.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-methyl-5-[(4-methylphenyl)sulfonyl-(3-nitrobenzoyl)amino]-1-benzofuran-3-carboxylate
Also Known As: ChemDiv1_023134, ethyl 2-methyl-5-(3-nitro-N-tosylbenzamido)benzofuran-3-carboxylate, F0808-2371, ethyl 2-methyl-5-[N-(4-methylbenzenesulfonyl)3-nitrobenzamido]-1-benzofuran-3-carboxylate, ethyl 2-methyl-5-[(4-methylphenyl)sulfonyl-(3-nitrobenzoyl)amino]-1-benzofuran-3-carboxylate
| Molecular Formula | C26H22N2O8S |
|---|---|
| Molecular Weight | 522.11 g/mol |
| LogP | 5.17024 |
| Topological Polar Surface Area | 137.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 522.1097 |
| Heavy Atoms | 37 |
| Complexity | 1639.1166 |
Chemical Identifiers
| CAS Number | 397281-38-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC2=C1C=C(C=C2)N(C(=O)C3=CC(=CC=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=C(C=C4)C)C |
Product Overview
ethyl 2-methyl-5-(3-nitro-N-tosylbenzamido)benzofuran-3-carboxylate (CAS 397281-38-8), with molecular formula C26H22N2O8S and molecular weight 522.11 g/mol. IUPAC: ethyl 2-methyl-5-[(4-methylphenyl)sulfonyl-(3-nitrobenzoyl)amino]-1-benzofuran-3-carboxylate.
Chemical Property Profile of ethyl 2-methyl-5-(3-nitro-N-tosylbenzamido)benzofuran-3-carboxylate
Property Insights of ethyl 2-methyl-5-(3-nitro-N-tosylbenzamido)benzofuran-3-carboxylate
The XLogP value of 5.17024 indicates that ethyl 2-methyl-5-(3-nitro-N-tosylbenzamido)benzofuran-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 2-methyl-5-(3-nitro-N-tosylbenzamido)benzofuran-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2-methyl-5-(3-nitro-N-tosylbenzamido)benzofuran-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 2-methyl-5-(3-nitro-N-tosylbenzamido)benzofuran-3-carboxylate?
The CAS number of ethyl 2-methyl-5-(3-nitro-N-tosylbenzamido)benzofuran-3-carboxylate is 397281-38-8.
What is the molecular formula of ethyl 2-methyl-5-(3-nitro-N-tosylbenzamido)benzofuran-3-carboxylate?
The molecular formula of ethyl 2-methyl-5-(3-nitro-N-tosylbenzamido)benzofuran-3-carboxylate is C26H22N2O8S.
What is the molecular weight of ethyl 2-methyl-5-(3-nitro-N-tosylbenzamido)benzofuran-3-carboxylate?
The molecular weight of ethyl 2-methyl-5-(3-nitro-N-tosylbenzamido)benzofuran-3-carboxylate is 522.11 g/mol.
Where can I buy ethyl 2-methyl-5-(3-nitro-N-tosylbenzamido)benzofuran-3-carboxylate?
You can request a quote for ethyl 2-methyl-5-(3-nitro-N-tosylbenzamido)benzofuran-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 2-methyl-5-(3-nitro-N-tosylbenzamido)benzofuran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-methyl-5-(3-nitro-N-tosylbenzamido)benzofuran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.