Butyl 2-methyl-5-(4-methyl-3-nitrobenzenesulfonamido)-1-benzofuran-3-carboxylate
TL;DR: Butyl 2-methyl-5-(4-methyl-3-nitrobenzenesulfonamido)-1-benzofuran-3-carboxylate (CAS 518331-02-7) is a chemical compound with molecular formula C21H22N2O7S and molecular weight 446.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2-methyl-5-[(4-methyl-3-nitrophenyl)sulfonylamino]-1-benzofuran-3-carboxylate
Also Known As: BUTYL 2-METHYL-5-(4-METHYL-3-NITROBENZENESULFONAMIDO)-1-BENZOFURAN-3-CARBOXYLATE, butyl 2-methyl-5-(4-methyl-3-nitrophenylsulfonamido)benzofuran-3-carboxylate, F1269-1892, butyl 2-methyl-5-[(4-methyl-3-nitrophenyl)sulfonylamino]-1-benzofuran-3-carboxylate, Butyl 2-methyl-5-[(4-methyl-3-nitro-phenyl)sulfonylamino]benzofuran-3-carboxylate
| Molecular Formula | C21H22N2O7S |
|---|---|
| Molecular Weight | 446.11 g/mol |
| LogP | 4.71554 |
| Topological Polar Surface Area | 128.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 446.11478 |
| Heavy Atoms | 31 |
| Complexity | 1262.214 |
Chemical Identifiers
| CAS Number | 518331-02-7 |
|---|---|
| SMILES | CCCCOC(=O)C1=C(OC2=C1C=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-])C |
Product Overview
Butyl 2-methyl-5-(4-methyl-3-nitrobenzenesulfonamido)-1-benzofuran-3-carboxylate (CAS 518331-02-7), with molecular formula C21H22N2O7S and molecular weight 446.11 g/mol. IUPAC: butyl 2-methyl-5-[(4-methyl-3-nitrophenyl)sulfonylamino]-1-benzofuran-3-carboxylate.
Chemical Property Profile of Butyl 2-methyl-5-(4-methyl-3-nitrobenzenesulfonamido)-1-benzofuran-3-carboxylate
Property Insights of Butyl 2-methyl-5-(4-methyl-3-nitrobenzenesulfonamido)-1-benzofuran-3-carboxylate
The XLogP value of 4.71554 indicates that Butyl 2-methyl-5-(4-methyl-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 Butyl 2-methyl-5-(4-methyl-3-nitrobenzenesulfonamido)-1-benzofuran-3-carboxylate. Following Lipinski's Rule of Five, Butyl 2-methyl-5-(4-methyl-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 Butyl 2-methyl-5-(4-methyl-3-nitrobenzenesulfonamido)-1-benzofuran-3-carboxylate?
The CAS number of Butyl 2-methyl-5-(4-methyl-3-nitrobenzenesulfonamido)-1-benzofuran-3-carboxylate is 518331-02-7.
What is the molecular formula of Butyl 2-methyl-5-(4-methyl-3-nitrobenzenesulfonamido)-1-benzofuran-3-carboxylate?
The molecular formula of Butyl 2-methyl-5-(4-methyl-3-nitrobenzenesulfonamido)-1-benzofuran-3-carboxylate is C21H22N2O7S.
What is the molecular weight of Butyl 2-methyl-5-(4-methyl-3-nitrobenzenesulfonamido)-1-benzofuran-3-carboxylate?
The molecular weight of Butyl 2-methyl-5-(4-methyl-3-nitrobenzenesulfonamido)-1-benzofuran-3-carboxylate is 446.11 g/mol.
Where can I buy Butyl 2-methyl-5-(4-methyl-3-nitrobenzenesulfonamido)-1-benzofuran-3-carboxylate?
You can request a quote for Butyl 2-methyl-5-(4-methyl-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 Butyl 2-methyl-5-(4-methyl-3-nitrobenzenesulfonamido)-1-benzofuran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 2-methyl-5-(4-methyl-3-nitrobenzenesulfonamido)-1-benzofuran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.