3-(2-(2,3-dimethylphenyl)-1,3-dioxoisoindoline-5-carboxamido)-2-methylbenzoic acid
TL;DR: 3-(2-(2,3-dimethylphenyl)-1,3-dioxoisoindoline-5-carboxamido)-2-methylbenzoic acid (CAS 404856-07-1) is a chemical compound with molecular formula C25H20N2O5 and molecular weight 428.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[2-(2,3-dimethylphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]-2-methylbenzoic acid
Also Known As: 3-(2-(2,3-dimethylphenyl)-1,3-dioxoisoindoline-5-carboxamido)-2-methylbenzoic acid, 3-[[2-(2,3-dimethylphenyl)-1,3-dioxo-isoindole-5-carbonyl]amino]-2-methyl-benzoic Acid, 3-[[2-(2,3-dimethylphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]-2-methylbenzoic acid, 3-({[2-(2,3-dimethylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]carbonyl}amino)-2-methylbenzoic acid
| Molecular Formula | C25H20N2O5 |
|---|---|
| Molecular Weight | 428.14 g/mol |
| LogP | 4.36296 |
| Topological Polar Surface Area | 103.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 428.1372 |
| Heavy Atoms | 32 |
| Complexity | 1325.9027 |
Chemical Identifiers
| CAS Number | 404856-07-1 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CC=CC(=C4C)C(=O)O)C |
Product Overview
3-(2-(2,3-dimethylphenyl)-1,3-dioxoisoindoline-5-carboxamido)-2-methylbenzoic acid (CAS 404856-07-1), with molecular formula C25H20N2O5 and molecular weight 428.14 g/mol. IUPAC: 3-[[2-(2,3-dimethylphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]-2-methylbenzoic acid.
Chemical Property Profile of 3-(2-(2,3-dimethylphenyl)-1,3-dioxoisoindoline-5-carboxamido)-2-methylbenzoic acid
Property Insights of 3-(2-(2,3-dimethylphenyl)-1,3-dioxoisoindoline-5-carboxamido)-2-methylbenzoic acid
The XLogP value of 4.36296 indicates that 3-(2-(2,3-dimethylphenyl)-1,3-dioxoisoindoline-5-carboxamido)-2-methylbenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.78 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-(2,3-dimethylphenyl)-1,3-dioxoisoindoline-5-carboxamido)-2-methylbenzoic acid. Following Lipinski's Rule of Five, 3-(2-(2,3-dimethylphenyl)-1,3-dioxoisoindoline-5-carboxamido)-2-methylbenzoic acid has 2 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-(2-(2,3-dimethylphenyl)-1,3-dioxoisoindoline-5-carboxamido)-2-methylbenzoic acid?
The CAS number of 3-(2-(2,3-dimethylphenyl)-1,3-dioxoisoindoline-5-carboxamido)-2-methylbenzoic acid is 404856-07-1.
What is the molecular formula of 3-(2-(2,3-dimethylphenyl)-1,3-dioxoisoindoline-5-carboxamido)-2-methylbenzoic acid?
The molecular formula of 3-(2-(2,3-dimethylphenyl)-1,3-dioxoisoindoline-5-carboxamido)-2-methylbenzoic acid is C25H20N2O5.
What is the molecular weight of 3-(2-(2,3-dimethylphenyl)-1,3-dioxoisoindoline-5-carboxamido)-2-methylbenzoic acid?
The molecular weight of 3-(2-(2,3-dimethylphenyl)-1,3-dioxoisoindoline-5-carboxamido)-2-methylbenzoic acid is 428.14 g/mol.
Where can I buy 3-(2-(2,3-dimethylphenyl)-1,3-dioxoisoindoline-5-carboxamido)-2-methylbenzoic acid?
You can request a quote for 3-(2-(2,3-dimethylphenyl)-1,3-dioxoisoindoline-5-carboxamido)-2-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-(2-(2,3-dimethylphenyl)-1,3-dioxoisoindoline-5-carboxamido)-2-methylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-(2,3-dimethylphenyl)-1,3-dioxoisoindoline-5-carboxamido)-2-methylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.