3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-methylbenzoic acid
TL;DR: 3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-methylbenzoic acid (CAS 420101-13-9) 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.
3-(1,3-dioxoisoindol-2-yl)-4-methylbenzoic acid
Also Known As: 3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-methylbenzoic acid, 3-(1,3-dioxoisoindol-2-yl)-4-methylbenzoic acid, Ethanethiol,2,2',2''-nitrilotris, 3-(1,3-Dioxoisoindolin-2-yl)-4-methylbenzoic acid, BIM-0029863.P001
| Molecular Formula | C16H11NO4 |
|---|---|
| Molecular Weight | 281.07 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 74.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 281.06882 |
| Heavy Atoms | 21 |
| Complexity | 451.0 |
Chemical Identifiers
| CAS Number | 420101-13-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)O)N2C(=O)C3=CC=CC=C3C2=O |
| InChIKey | ANMZERJXLKKHDQ-UHFFFAOYSA-N |
Product Overview
3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-methylbenzoic acid (CAS 420101-13-9), with molecular formula C16H11NO4 and molecular weight 281.07 g/mol. IUPAC: 3-(1,3-dioxoisoindol-2-yl)-4-methylbenzoic acid.
Chemical Property Profile of 3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-methylbenzoic acid
Property Insights of 3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-methylbenzoic acid
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-methylbenzoic acid. The TPSA of 74.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-methylbenzoic acid. Following Lipinski's Rule of Five, 3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-methylbenzoic 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 3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-methylbenzoic acid?
The CAS number of 3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-methylbenzoic acid is 420101-13-9.
What is the molecular formula of 3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-methylbenzoic acid?
The molecular formula of 3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-methylbenzoic acid is C16H11NO4.
What is the molecular weight of 3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-methylbenzoic acid?
The molecular weight of 3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-methylbenzoic acid is 281.07 g/mol.
Where can I buy 3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-methylbenzoic acid?
You can request a quote for 3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-methylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-methylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-methylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.