![4-[1,3-dioxo-2-(pyridine-3-carbonylamino)isoindol-5-yl]sulfonylbenzoic Acid structure](/static/products/444/444116-35-2.png)
4-[1,3-dioxo-2-(pyridine-3-carbonylamino)isoindol-5-yl]sulfonylbenzoic Acid
TL;DR: 4-[1,3-dioxo-2-(pyridine-3-carbonylamino)isoindol-5-yl]sulfonylbenzoic Acid (CAS 444116-35-2) is a chemical compound with molecular formula C21H13N3O7S and molecular weight 451.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[1,3-dioxo-2-(pyridine-3-carbonylamino)isoindol-5-yl]sulfonylbenzoic acid
Also Known As: 4-[1,3-dioxo-2-(pyridine-3-carbonylamino)isoindol-5-yl]sulfonylbenzoic Acid, 4-((2-(nicotinamido)-1,3-dioxoisoindolin-5-yl)sulfonyl)benzoic acid, 4-({1,3-dioxo-2-[(pyridin-3-ylcarbonyl)amino]-2,3-dihydro-1H-isoindol-5-yl}sulfonyl)benzoic acid, 4-{1,3-Dioxo-2-[(pyridine-3-carbonyl)-amino]-2,3-dihydro-1H-isoindole-5-sulfonyl}-benzoic acid
| Molecular Formula | C21H13N3O7S |
|---|---|
| Molecular Weight | 451.05 g/mol |
| LogP | 1.5536 |
| Topological Polar Surface Area | 150.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 451.04742 |
| Heavy Atoms | 32 |
| Complexity | 1384.6505 |
Chemical Identifiers
| CAS Number | 444116-35-2 |
|---|---|
| SMILES | C1=CC(=CN=C1)C(=O)NN2C(=O)C3=C(C2=O)C=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)C(=O)O |
Product Overview
4-[1,3-dioxo-2-(pyridine-3-carbonylamino)isoindol-5-yl]sulfonylbenzoic Acid (CAS 444116-35-2), with molecular formula C21H13N3O7S and molecular weight 451.05 g/mol. IUPAC: 4-[1,3-dioxo-2-(pyridine-3-carbonylamino)isoindol-5-yl]sulfonylbenzoic acid.
Chemical Property Profile of 4-[1,3-dioxo-2-(pyridine-3-carbonylamino)isoindol-5-yl]sulfonylbenzoic Acid
Property Insights of 4-[1,3-dioxo-2-(pyridine-3-carbonylamino)isoindol-5-yl]sulfonylbenzoic Acid
The XLogP value of 1.5536 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[1,3-dioxo-2-(pyridine-3-carbonylamino)isoindol-5-yl]sulfonylbenzoic Acid. The TPSA of 150.81 Ų indicates high polarity, suggesting 4-[1,3-dioxo-2-(pyridine-3-carbonylamino)isoindol-5-yl]sulfonylbenzoic Acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-[1,3-dioxo-2-(pyridine-3-carbonylamino)isoindol-5-yl]sulfonylbenzoic Acid has 2 hydrogen bond donor(s) and 7 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-[1,3-dioxo-2-(pyridine-3-carbonylamino)isoindol-5-yl]sulfonylbenzoic Acid?
The CAS number of 4-[1,3-dioxo-2-(pyridine-3-carbonylamino)isoindol-5-yl]sulfonylbenzoic Acid is 444116-35-2.
What is the molecular formula of 4-[1,3-dioxo-2-(pyridine-3-carbonylamino)isoindol-5-yl]sulfonylbenzoic Acid?
The molecular formula of 4-[1,3-dioxo-2-(pyridine-3-carbonylamino)isoindol-5-yl]sulfonylbenzoic Acid is C21H13N3O7S.
What is the molecular weight of 4-[1,3-dioxo-2-(pyridine-3-carbonylamino)isoindol-5-yl]sulfonylbenzoic Acid?
The molecular weight of 4-[1,3-dioxo-2-(pyridine-3-carbonylamino)isoindol-5-yl]sulfonylbenzoic Acid is 451.05 g/mol.
Where can I buy 4-[1,3-dioxo-2-(pyridine-3-carbonylamino)isoindol-5-yl]sulfonylbenzoic Acid?
You can request a quote for 4-[1,3-dioxo-2-(pyridine-3-carbonylamino)isoindol-5-yl]sulfonylbenzoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[1,3-dioxo-2-(pyridine-3-carbonylamino)isoindol-5-yl]sulfonylbenzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[1,3-dioxo-2-(pyridine-3-carbonylamino)isoindol-5-yl]sulfonylbenzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.