![4-({[(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]amino}methyl)benzoic acid structure](/static/products/7123/712322-32-2.webp)
4-({[(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]amino}methyl)benzoic acid
TL;DR: 4-({[(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]amino}methyl)benzoic acid (CAS 712322-32-2) is a chemical compound with molecular formula C18H13N3O7 and molecular weight 383.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[[2-(5-nitro-1,3-dioxoisoindol-2-yl)acetyl]amino]methyl]benzoic acid
Also Known As: 4-({[(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]amino}methyl)benzoic acid, 4-((2-(5-nitro-1,3-dioxoisoindolin-2-yl)acetamido)methyl)benzoic acid, 4-[[[2-(5-nitro-1,3-dioxo-isoindol-2-yl)acetyl]amino]methyl]benzoic Acid, 4-[[[2-(5-nitro-1,3-dioxoisoindol-2-yl)acetyl]amino]methyl]benzoic acid
| Molecular Formula | C18H13N3O7 |
|---|---|
| Molecular Weight | 383.08 g/mol |
| LogP | 1.2054 |
| Topological Polar Surface Area | 146.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 383.07535 |
| Heavy Atoms | 28 |
| Complexity | 1014.33936 |
Chemical Identifiers
| CAS Number | 712322-32-2 |
|---|---|
| SMILES | C1=CC(=CC=C1CNC(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C(=O)O |
Product Overview
4-({[(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]amino}methyl)benzoic acid (CAS 712322-32-2), with molecular formula C18H13N3O7 and molecular weight 383.08 g/mol. IUPAC: 4-[[[2-(5-nitro-1,3-dioxoisoindol-2-yl)acetyl]amino]methyl]benzoic acid.
Chemical Property Profile of 4-({[(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]amino}methyl)benzoic acid
Property Insights of 4-({[(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]amino}methyl)benzoic acid
The XLogP value of 1.2054 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-({[(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]amino}methyl)benzoic acid. The TPSA of 146.92 Ų indicates high polarity, suggesting 4-({[(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]amino}methyl)benzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-({[(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]amino}methyl)benzoic acid has 2 hydrogen bond donor(s) and 6 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-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]amino}methyl)benzoic acid?
The CAS number of 4-({[(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]amino}methyl)benzoic acid is 712322-32-2.
What is the molecular formula of 4-({[(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]amino}methyl)benzoic acid?
The molecular formula of 4-({[(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]amino}methyl)benzoic acid is C18H13N3O7.
What is the molecular weight of 4-({[(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]amino}methyl)benzoic acid?
The molecular weight of 4-({[(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]amino}methyl)benzoic acid is 383.08 g/mol.
Where can I buy 4-({[(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]amino}methyl)benzoic acid?
You can request a quote for 4-({[(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]amino}methyl)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-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]amino}methyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-({[(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]amino}methyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.