![Methyl 2-[(3-oxo-1,3-dihydro-2-benzofuran-1-yl)amino]benzoate structure](/static/products/4297/42974-48-1.webp)
Methyl 2-[(3-oxo-1,3-dihydro-2-benzofuran-1-yl)amino]benzoate
TL;DR: Methyl 2-[(3-oxo-1,3-dihydro-2-benzofuran-1-yl)amino]benzoate (CAS 42974-48-1) is a chemical compound with molecular formula C16H13NO4 and molecular weight 283.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(3-oxo-1H-2-benzofuran-1-yl)amino]benzoate
Also Known As: 7-<2-Thienyl>-benzanthracen, 3-(2-methoxycarbonylphenylamino)phthalide, BAS 05896222, methyl 2-[(3-oxo-1H-2-benzofuran-1-yl)amino]benzoate, methyl 2-[(3-oxo-1,3-dihydro-2-benzofuran-1-yl)amino]benzoate
| Molecular Formula | C16H13NO4 |
|---|---|
| Molecular Weight | 283.08 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 283.08447 |
| Heavy Atoms | 21 |
| Complexity | 411.0 |
Chemical Identifiers
| CAS Number | 42974-48-1 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC2C3=CC=CC=C3C(=O)O2 |
| InChIKey | KVRBXIHSHXGQAU-UHFFFAOYSA-N |
Product Overview
Methyl 2-[(3-oxo-1,3-dihydro-2-benzofuran-1-yl)amino]benzoate (CAS 42974-48-1), with molecular formula C16H13NO4 and molecular weight 283.08 g/mol. IUPAC: methyl 2-[(3-oxo-1H-2-benzofuran-1-yl)amino]benzoate.
Chemical Property Profile of Methyl 2-[(3-oxo-1,3-dihydro-2-benzofuran-1-yl)amino]benzoate
Property Insights of Methyl 2-[(3-oxo-1,3-dihydro-2-benzofuran-1-yl)amino]benzoate
The XLogP value of 3.6 indicates that Methyl 2-[(3-oxo-1,3-dihydro-2-benzofuran-1-yl)amino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-[(3-oxo-1,3-dihydro-2-benzofuran-1-yl)amino]benzoate. Following Lipinski's Rule of Five, Methyl 2-[(3-oxo-1,3-dihydro-2-benzofuran-1-yl)amino]benzoate has 1 hydrogen bond donor(s) and 5 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-[(3-oxo-1,3-dihydro-2-benzofuran-1-yl)amino]benzoate?
The CAS number of Methyl 2-[(3-oxo-1,3-dihydro-2-benzofuran-1-yl)amino]benzoate is 42974-48-1.
What is the molecular formula of Methyl 2-[(3-oxo-1,3-dihydro-2-benzofuran-1-yl)amino]benzoate?
The molecular formula of Methyl 2-[(3-oxo-1,3-dihydro-2-benzofuran-1-yl)amino]benzoate is C16H13NO4.
What is the molecular weight of Methyl 2-[(3-oxo-1,3-dihydro-2-benzofuran-1-yl)amino]benzoate?
The molecular weight of Methyl 2-[(3-oxo-1,3-dihydro-2-benzofuran-1-yl)amino]benzoate is 283.08 g/mol.
Where can I buy Methyl 2-[(3-oxo-1,3-dihydro-2-benzofuran-1-yl)amino]benzoate?
You can request a quote for Methyl 2-[(3-oxo-1,3-dihydro-2-benzofuran-1-yl)amino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-[(3-oxo-1,3-dihydro-2-benzofuran-1-yl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[(3-oxo-1,3-dihydro-2-benzofuran-1-yl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.