![4,5-Dimethoxy-2-[[2-(5-nitro-1,3-dioxoisoindol-2-yl)acetyl]amino]benzoic acid structure](/static/products/6906/690669-52-4.webp)
4,5-Dimethoxy-2-[[2-(5-nitro-1,3-dioxoisoindol-2-yl)acetyl]amino]benzoic acid
TL;DR: 4,5-Dimethoxy-2-[[2-(5-nitro-1,3-dioxoisoindol-2-yl)acetyl]amino]benzoic acid (CAS 690669-52-4) is a chemical compound with molecular formula C19H15N3O9 and molecular weight 429.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dimethoxy-2-[[2-(5-nitro-1,3-dioxoisoindol-2-yl)acetyl]amino]benzoic acid
Also Known As: 4,5-dimethoxy-2-[[2-(5-nitro-1,3-dioxoisoindol-2-yl)acetyl]amino]benzoic acid, 4,5-dimethoxy-2-(2-(5-nitro-1,3-dioxoisoindolin-2-yl)acetamido)benzoic acid, 4,5-dimethoxy-2-[[2-(5-nitro-1,3-dioxo-isoindol-2-yl)acetyl]amino]benzoic Acid, 4,5-dimethoxy-2-{[(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]amino}benzoic acid
| Molecular Formula | C19H15N3O9 |
|---|---|
| Molecular Weight | 429.08 g/mol |
| LogP | 1.5449 |
| Topological Polar Surface Area | 165.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 429.08084 |
| Heavy Atoms | 31 |
| Complexity | 1142.6837 |
Chemical Identifiers
| CAS Number | 690669-52-4 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)C(=O)O)NC(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])OC |
Product Overview
4,5-Dimethoxy-2-[[2-(5-nitro-1,3-dioxoisoindol-2-yl)acetyl]amino]benzoic acid (CAS 690669-52-4), with molecular formula C19H15N3O9 and molecular weight 429.08 g/mol. IUPAC: 4,5-dimethoxy-2-[[2-(5-nitro-1,3-dioxoisoindol-2-yl)acetyl]amino]benzoic acid.
Chemical Property Profile of 4,5-Dimethoxy-2-[[2-(5-nitro-1,3-dioxoisoindol-2-yl)acetyl]amino]benzoic acid
Property Insights of 4,5-Dimethoxy-2-[[2-(5-nitro-1,3-dioxoisoindol-2-yl)acetyl]amino]benzoic acid
The XLogP value of 1.5449 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-Dimethoxy-2-[[2-(5-nitro-1,3-dioxoisoindol-2-yl)acetyl]amino]benzoic acid. The TPSA of 165.38 Ų indicates high polarity, suggesting 4,5-Dimethoxy-2-[[2-(5-nitro-1,3-dioxoisoindol-2-yl)acetyl]amino]benzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4,5-Dimethoxy-2-[[2-(5-nitro-1,3-dioxoisoindol-2-yl)acetyl]amino]benzoic acid has 2 hydrogen bond donor(s) and 8 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 4,5-Dimethoxy-2-[[2-(5-nitro-1,3-dioxoisoindol-2-yl)acetyl]amino]benzoic acid?
The CAS number of 4,5-Dimethoxy-2-[[2-(5-nitro-1,3-dioxoisoindol-2-yl)acetyl]amino]benzoic acid is 690669-52-4.
What is the molecular formula of 4,5-Dimethoxy-2-[[2-(5-nitro-1,3-dioxoisoindol-2-yl)acetyl]amino]benzoic acid?
The molecular formula of 4,5-Dimethoxy-2-[[2-(5-nitro-1,3-dioxoisoindol-2-yl)acetyl]amino]benzoic acid is C19H15N3O9.
What is the molecular weight of 4,5-Dimethoxy-2-[[2-(5-nitro-1,3-dioxoisoindol-2-yl)acetyl]amino]benzoic acid?
The molecular weight of 4,5-Dimethoxy-2-[[2-(5-nitro-1,3-dioxoisoindol-2-yl)acetyl]amino]benzoic acid is 429.08 g/mol.
Where can I buy 4,5-Dimethoxy-2-[[2-(5-nitro-1,3-dioxoisoindol-2-yl)acetyl]amino]benzoic acid?
You can request a quote for 4,5-Dimethoxy-2-[[2-(5-nitro-1,3-dioxoisoindol-2-yl)acetyl]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 4,5-Dimethoxy-2-[[2-(5-nitro-1,3-dioxoisoindol-2-yl)acetyl]amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Dimethoxy-2-[[2-(5-nitro-1,3-dioxoisoindol-2-yl)acetyl]amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.