Benzyl 2-methyl-5-(3-nitrobenzenesulfonamido)-1-benzofuran-3-carboxylate
TL;DR: Benzyl 2-methyl-5-(3-nitrobenzenesulfonamido)-1-benzofuran-3-carboxylate (CAS 431909-81-8) is a chemical compound with molecular formula C23H18N2O7S and molecular weight 466.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-methyl-5-[(3-nitrophenyl)sulfonylamino]-1-benzofuran-3-carboxylate
Also Known As: BENZYL 2-METHYL-5-(3-NITROBENZENESULFONAMIDO)-1-BENZOFURAN-3-CARBOXYLATE, F1113-0734, benzyl 2-methyl-5-[(3-nitrophenyl)sulfonylamino]-1-benzofuran-3-carboxylate, benzyl 2-methyl-5-(3-nitrophenylsulfonamido)benzofuran-3-carboxylate, Benzyl 2-methyl-5-[(3-nitrophenyl)sulfonylamino]benzofuran-3-carboxylate
| Molecular Formula | C23H18N2O7S |
|---|---|
| Molecular Weight | 466.08 g/mol |
| LogP | 4.80722 |
| Topological Polar Surface Area | 128.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 466.08347 |
| Heavy Atoms | 33 |
| Complexity | 1460.9589 |
Chemical Identifiers
| CAS Number | 431909-81-8 |
|---|---|
| SMILES | CC1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])C(=O)OCC4=CC=CC=C4 |
Product Overview
Benzyl 2-methyl-5-(3-nitrobenzenesulfonamido)-1-benzofuran-3-carboxylate (CAS 431909-81-8), with molecular formula C23H18N2O7S and molecular weight 466.08 g/mol. IUPAC: benzyl 2-methyl-5-[(3-nitrophenyl)sulfonylamino]-1-benzofuran-3-carboxylate.
Chemical Property Profile of Benzyl 2-methyl-5-(3-nitrobenzenesulfonamido)-1-benzofuran-3-carboxylate
Property Insights of Benzyl 2-methyl-5-(3-nitrobenzenesulfonamido)-1-benzofuran-3-carboxylate
The XLogP value of 4.80722 indicates that Benzyl 2-methyl-5-(3-nitrobenzenesulfonamido)-1-benzofuran-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 128.75 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl 2-methyl-5-(3-nitrobenzenesulfonamido)-1-benzofuran-3-carboxylate. Following Lipinski's Rule of Five, Benzyl 2-methyl-5-(3-nitrobenzenesulfonamido)-1-benzofuran-3-carboxylate has 1 hydrogen bond donor(s) and 7 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 Benzyl 2-methyl-5-(3-nitrobenzenesulfonamido)-1-benzofuran-3-carboxylate?
The CAS number of Benzyl 2-methyl-5-(3-nitrobenzenesulfonamido)-1-benzofuran-3-carboxylate is 431909-81-8.
What is the molecular formula of Benzyl 2-methyl-5-(3-nitrobenzenesulfonamido)-1-benzofuran-3-carboxylate?
The molecular formula of Benzyl 2-methyl-5-(3-nitrobenzenesulfonamido)-1-benzofuran-3-carboxylate is C23H18N2O7S.
What is the molecular weight of Benzyl 2-methyl-5-(3-nitrobenzenesulfonamido)-1-benzofuran-3-carboxylate?
The molecular weight of Benzyl 2-methyl-5-(3-nitrobenzenesulfonamido)-1-benzofuran-3-carboxylate is 466.08 g/mol.
Where can I buy Benzyl 2-methyl-5-(3-nitrobenzenesulfonamido)-1-benzofuran-3-carboxylate?
You can request a quote for Benzyl 2-methyl-5-(3-nitrobenzenesulfonamido)-1-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 Benzyl 2-methyl-5-(3-nitrobenzenesulfonamido)-1-benzofuran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 2-methyl-5-(3-nitrobenzenesulfonamido)-1-benzofuran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.