4-((4,5-Dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)benzoic acid
TL;DR: 4-((4,5-Dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)benzoic acid (CAS 307339-68-0) is a chemical compound with molecular formula C17H15NO6 and molecular weight 329.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)amino]benzoic acid
Also Known As: 4-((4,5-Dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)benzoic acid, 4-[(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)amino]benzoic acid, 4-[(4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl)amino]benzoic Acid, 4-[(4,5-dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)amino]benzoic acid, 4-((4,5-Dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)benzoicacid
| Molecular Formula | C17H15NO6 |
|---|---|
| Molecular Weight | 329.09 g/mol |
| LogP | 2.6831 |
| Topological Polar Surface Area | 94.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 329.08994 |
| Heavy Atoms | 24 |
| Complexity | 799.4732 |
Chemical Identifiers
| CAS Number | 307339-68-0 |
|---|---|
| SMILES | COC1=C(C2=C(C=C1)C(OC2=O)NC3=CC=C(C=C3)C(=O)O)OC |
Product Overview
4-((4,5-Dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)benzoic acid (CAS 307339-68-0), with molecular formula C17H15NO6 and molecular weight 329.09 g/mol. IUPAC: 4-[(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)amino]benzoic acid.
Chemical Property Profile of 4-((4,5-Dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)benzoic acid
Property Insights of 4-((4,5-Dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)benzoic acid
The XLogP value of 2.6831 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((4,5-Dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)benzoic acid. The TPSA of 94.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((4,5-Dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)benzoic acid. Following Lipinski's Rule of Five, 4-((4,5-Dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)benzoic acid has 2 hydrogen bond donor(s) and 6 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 4-((4,5-Dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)benzoic acid?
The CAS number of 4-((4,5-Dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)benzoic acid is 307339-68-0.
What is the molecular formula of 4-((4,5-Dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)benzoic acid?
The molecular formula of 4-((4,5-Dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)benzoic acid is C17H15NO6.
What is the molecular weight of 4-((4,5-Dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)benzoic acid?
The molecular weight of 4-((4,5-Dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)benzoic acid is 329.09 g/mol.
Where can I buy 4-((4,5-Dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)benzoic acid?
You can request a quote for 4-((4,5-Dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((4,5-Dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-((4,5-Dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.