![2-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]benzoic acid structure](/static/products/5366/53663-18-6.webp)
2-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]benzoic acid
TL;DR: 2-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]benzoic acid (CAS 53663-18-6) is a chemical compound with molecular formula C16H11NO4 and molecular weight 281.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(1,3-dioxoisoindol-2-yl)methyl]benzoic acid
Also Known As: a-phthalimido-o-toluic acid, alpha-PhthaliMido-o-toluic acid, A-PhthaliMido-o-toluic acid, 2-(phthalimidomethyl)benzoic acid, 2-((1,3-Dioxoisoindolin-2-yl)methyl)benzoic acid
| Molecular Formula | C16H11NO4 |
|---|---|
| Molecular Weight | 281.07 g/mol |
| LogP | 2.181 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 281.06882 |
| Heavy Atoms | 21 |
| Complexity | 731.3772 |
Chemical Identifiers
| CAS Number | 53663-18-6 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CN2C(=O)C3=CC=CC=C3C2=O)C(=O)O |
Product Overview
2-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]benzoic acid (CAS 53663-18-6), with molecular formula C16H11NO4 and molecular weight 281.07 g/mol. IUPAC: 2-[(1,3-dioxoisoindol-2-yl)methyl]benzoic acid.
Chemical Property Profile of 2-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]benzoic acid
Property Insights of 2-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]benzoic acid
The XLogP value of 2.181 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]benzoic acid. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]benzoic acid. Following Lipinski's Rule of Five, 2-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]benzoic acid has 1 hydrogen bond donor(s) and 3 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 2-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]benzoic acid?
The CAS number of 2-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]benzoic acid is 53663-18-6.
What is the molecular formula of 2-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]benzoic acid?
The molecular formula of 2-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]benzoic acid is C16H11NO4.
What is the molecular weight of 2-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]benzoic acid?
The molecular weight of 2-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]benzoic acid is 281.07 g/mol.
Where can I buy 2-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]benzoic acid?
You can request a quote for 2-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.