![3-{[(2-ethyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)carbonyl]amino}benzoic acid structure](/static/products/5002/500261-60-9.webp)
3-{[(2-ethyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)carbonyl]amino}benzoic acid
TL;DR: 3-{[(2-ethyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)carbonyl]amino}benzoic acid (CAS 500261-60-9) is a chemical compound with molecular formula C18H14N2O5 and molecular weight 338.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-ethyl-1,3-dioxoisoindole-5-carbonyl)amino]benzoic acid
Also Known As: AN-979/40826840, 3-(2-ethyl-1,3-dioxoisoindoline-5-carboxamido)benzoic acid, 3-{[(2-ethyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)carbonyl]amino}benzoic acid, 3-[(2-ethyl-1,3-dioxo-isoindole-5-carbonyl)amino]benzoic Acid, 3-[(2-ethyl-1,3-dioxoisoindole-5-carbonyl)amino]benzoic acid
| Molecular Formula | C18H14N2O5 |
|---|---|
| Molecular Weight | 338.09 g/mol |
| LogP | 2.253 |
| Topological Polar Surface Area | 103.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 338.09027 |
| Heavy Atoms | 25 |
| Complexity | 919.4325 |
Chemical Identifiers
| CAS Number | 500261-60-9 |
|---|---|
| SMILES | CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC=CC(=C3)C(=O)O |
Product Overview
3-{[(2-ethyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)carbonyl]amino}benzoic acid (CAS 500261-60-9), with molecular formula C18H14N2O5 and molecular weight 338.09 g/mol. IUPAC: 3-[(2-ethyl-1,3-dioxoisoindole-5-carbonyl)amino]benzoic acid.
Chemical Property Profile of 3-{[(2-ethyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)carbonyl]amino}benzoic acid
Property Insights of 3-{[(2-ethyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)carbonyl]amino}benzoic acid
The XLogP value of 2.253 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{[(2-ethyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)carbonyl]amino}benzoic acid. The TPSA of 103.78 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[(2-ethyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)carbonyl]amino}benzoic acid. Following Lipinski's Rule of Five, 3-{[(2-ethyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)carbonyl]amino}benzoic 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-ethyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)carbonyl]amino}benzoic acid?
The CAS number of 3-{[(2-ethyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)carbonyl]amino}benzoic acid is 500261-60-9.
What is the molecular formula of 3-{[(2-ethyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)carbonyl]amino}benzoic acid?
The molecular formula of 3-{[(2-ethyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)carbonyl]amino}benzoic acid is C18H14N2O5.
What is the molecular weight of 3-{[(2-ethyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)carbonyl]amino}benzoic acid?
The molecular weight of 3-{[(2-ethyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)carbonyl]amino}benzoic acid is 338.09 g/mol.
Where can I buy 3-{[(2-ethyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)carbonyl]amino}benzoic acid?
You can request a quote for 3-{[(2-ethyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)carbonyl]amino}benzoic 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-ethyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)carbonyl]amino}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{[(2-ethyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)carbonyl]amino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.