4-(4-Methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-YL)benzoic acid
TL;DR: 4-(4-Methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-YL)benzoic acid (CAS 1004085-26-0) 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.
4-(4-methyl-1,3-dioxoisoindol-2-yl)benzoic acid
Also Known As: 4-(4-METHYL-1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)BENZOIC ACID, 4-(4-Methyl-1,3-dioxoisoindolin-2-yl)benzoic acid, 4-(4-methyl-1,3-dioxoisoindol-2-yl)benzoic acid, 4-(4-methyl-1,3-dioxo-isoindol-2-yl)benzoic Acid, 4-(4-Methyl-1,3-dioxoisoindolin-2-yl)benzoicacid
| Molecular Formula | C16H11NO4 |
|---|---|
| Molecular Weight | 281.07 g/mol |
| LogP | 2.49382 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 281.06882 |
| Heavy Atoms | 21 |
| Complexity | 777.364 |
Chemical Identifiers
| CAS Number | 1004085-26-0 |
|---|---|
| SMILES | CC1=C2C(=CC=C1)C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)O |
Product Overview
4-(4-Methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-YL)benzoic acid (CAS 1004085-26-0), with molecular formula C16H11NO4 and molecular weight 281.07 g/mol. IUPAC: 4-(4-methyl-1,3-dioxoisoindol-2-yl)benzoic acid.
Chemical Property Profile of 4-(4-Methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-YL)benzoic acid
Property Insights of 4-(4-Methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-YL)benzoic acid
The XLogP value of 2.49382 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-YL)benzoic acid. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-YL)benzoic acid. Following Lipinski's Rule of Five, 4-(4-Methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-YL)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 4-(4-Methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-YL)benzoic acid?
The CAS number of 4-(4-Methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-YL)benzoic acid is 1004085-26-0.
What is the molecular formula of 4-(4-Methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-YL)benzoic acid?
The molecular formula of 4-(4-Methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-YL)benzoic acid is C16H11NO4.
What is the molecular weight of 4-(4-Methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-YL)benzoic acid?
The molecular weight of 4-(4-Methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-YL)benzoic acid is 281.07 g/mol.
Where can I buy 4-(4-Methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-YL)benzoic acid?
You can request a quote for 4-(4-Methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-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-(4-Methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-YL)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-YL)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.