methyl 2-methyl-5-(N-((3-nitrophenyl)sulfonyl)acetamido)benzofuran-3-carboxylate
TL;DR: methyl 2-methyl-5-(N-((3-nitrophenyl)sulfonyl)acetamido)benzofuran-3-carboxylate (CAS 448213-31-8) is a chemical compound with molecular formula C19H16N2O8S and molecular weight 432.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-[acetyl-(3-nitrophenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate
Also Known As: ChemDiv1_023096, F0808-2513, methyl 2-methyl-5-(N-((3-nitrophenyl)sulfonyl)acetamido)benzofuran-3-carboxylate, methyl 2-methyl-5-[N-(3-nitrobenzenesulfonyl)acetamido]-1-benzofuran-3-carboxylate, methyl 5-[acetyl-(3-nitrophenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate
| Molecular Formula | C19H16N2O8S |
|---|---|
| Molecular Weight | 432.06 g/mol |
| LogP | 3.17782 |
| Topological Polar Surface Area | 137.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 432.06274 |
| Heavy Atoms | 30 |
| Complexity | 1293.1067 |
Chemical Identifiers
| CAS Number | 448213-31-8 |
|---|---|
| SMILES | CC1=C(C2=C(O1)C=CC(=C2)N(C(=O)C)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])C(=O)OC |
Product Overview
methyl 2-methyl-5-(N-((3-nitrophenyl)sulfonyl)acetamido)benzofuran-3-carboxylate (CAS 448213-31-8), with molecular formula C19H16N2O8S and molecular weight 432.06 g/mol. IUPAC: methyl 5-[acetyl-(3-nitrophenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate.
Chemical Property Profile of methyl 2-methyl-5-(N-((3-nitrophenyl)sulfonyl)acetamido)benzofuran-3-carboxylate
Property Insights of methyl 2-methyl-5-(N-((3-nitrophenyl)sulfonyl)acetamido)benzofuran-3-carboxylate
The XLogP value of 3.17782 indicates that methyl 2-methyl-5-(N-((3-nitrophenyl)sulfonyl)acetamido)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 methyl 2-methyl-5-(N-((3-nitrophenyl)sulfonyl)acetamido)benzofuran-3-carboxylate. Following Lipinski's Rule of Five, methyl 2-methyl-5-(N-((3-nitrophenyl)sulfonyl)acetamido)benzofuran-3-carboxylate has 0 hydrogen bond donor(s) and 8 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 methyl 2-methyl-5-(N-((3-nitrophenyl)sulfonyl)acetamido)benzofuran-3-carboxylate?
The CAS number of methyl 2-methyl-5-(N-((3-nitrophenyl)sulfonyl)acetamido)benzofuran-3-carboxylate is 448213-31-8.
What is the molecular formula of methyl 2-methyl-5-(N-((3-nitrophenyl)sulfonyl)acetamido)benzofuran-3-carboxylate?
The molecular formula of methyl 2-methyl-5-(N-((3-nitrophenyl)sulfonyl)acetamido)benzofuran-3-carboxylate is C19H16N2O8S.
What is the molecular weight of methyl 2-methyl-5-(N-((3-nitrophenyl)sulfonyl)acetamido)benzofuran-3-carboxylate?
The molecular weight of methyl 2-methyl-5-(N-((3-nitrophenyl)sulfonyl)acetamido)benzofuran-3-carboxylate is 432.06 g/mol.
Where can I buy methyl 2-methyl-5-(N-((3-nitrophenyl)sulfonyl)acetamido)benzofuran-3-carboxylate?
You can request a quote for methyl 2-methyl-5-(N-((3-nitrophenyl)sulfonyl)acetamido)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 methyl 2-methyl-5-(N-((3-nitrophenyl)sulfonyl)acetamido)benzofuran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-methyl-5-(N-((3-nitrophenyl)sulfonyl)acetamido)benzofuran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.