4-(6,7-Dimethoxy-1-oxoisoindolin-2-yl)benzoic acid
TL;DR: 4-(6,7-Dimethoxy-1-oxoisoindolin-2-yl)benzoic acid (CAS 306957-61-9) is a chemical compound with molecular formula C17H15NO5 and molecular weight 313.10 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-isoindol-2-yl)benzoic acid
Also Known As: 4-(6,7-dimethoxy-1-oxoisoindolin-2-yl)benzoic acid, 4-(4,5-dimethoxy-3-oxo-1H-isoindol-2-yl)benzoic Acid, 4-(6,7-dimethoxy-1-oxoisoindolin-2-yl)benzoicacid, 4-(6,7-dimethoxy-1-oxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid
| Molecular Formula | C17H15NO5 |
|---|---|
| Molecular Weight | 313.10 g/mol |
| LogP | 2.5624 |
| Topological Polar Surface Area | 76.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.09503 |
| Heavy Atoms | 23 |
| Complexity | 782.3159 |
Chemical Identifiers
| CAS Number | 306957-61-9 |
|---|---|
| SMILES | COC1=C(C2=C(CN(C2=O)C3=CC=C(C=C3)C(=O)O)C=C1)OC |
Product Overview
4-(6,7-Dimethoxy-1-oxoisoindolin-2-yl)benzoic acid (CAS 306957-61-9), with molecular formula C17H15NO5 and molecular weight 313.10 g/mol. IUPAC: 4-(4,5-dimethoxy-3-oxo-1H-isoindol-2-yl)benzoic acid.
Chemical Property Profile of 4-(6,7-Dimethoxy-1-oxoisoindolin-2-yl)benzoic acid
Property Insights of 4-(6,7-Dimethoxy-1-oxoisoindolin-2-yl)benzoic acid
The XLogP value of 2.5624 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(6,7-Dimethoxy-1-oxoisoindolin-2-yl)benzoic acid. The TPSA of 76.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(6,7-Dimethoxy-1-oxoisoindolin-2-yl)benzoic acid. Following Lipinski's Rule of Five, 4-(6,7-Dimethoxy-1-oxoisoindolin-2-yl)benzoic acid has 1 hydrogen bond donor(s) and 4 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-(6,7-Dimethoxy-1-oxoisoindolin-2-yl)benzoic acid?
The CAS number of 4-(6,7-Dimethoxy-1-oxoisoindolin-2-yl)benzoic acid is 306957-61-9.
What is the molecular formula of 4-(6,7-Dimethoxy-1-oxoisoindolin-2-yl)benzoic acid?
The molecular formula of 4-(6,7-Dimethoxy-1-oxoisoindolin-2-yl)benzoic acid is C17H15NO5.
What is the molecular weight of 4-(6,7-Dimethoxy-1-oxoisoindolin-2-yl)benzoic acid?
The molecular weight of 4-(6,7-Dimethoxy-1-oxoisoindolin-2-yl)benzoic acid is 313.10 g/mol.
Where can I buy 4-(6,7-Dimethoxy-1-oxoisoindolin-2-yl)benzoic acid?
You can request a quote for 4-(6,7-Dimethoxy-1-oxoisoindolin-2-yl)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-(6,7-Dimethoxy-1-oxoisoindolin-2-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(6,7-Dimethoxy-1-oxoisoindolin-2-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.