1-(4-Nitro-1,3-dioxoisoindolin-2-yl)propane-1,3-dicarboxylic acid
TL;DR: 1-(4-Nitro-1,3-dioxoisoindolin-2-yl)propane-1,3-dicarboxylic acid (CAS 18636-08-3) is a chemical compound with molecular formula C13H10N2O8 and molecular weight 322.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-nitro-1,3-dioxoisoindol-2-yl)pentanedioic acid
Also Known As: 2-(4-nitro-1,3-dioxoisoindol-2-yl)pentanedioic acid, 2-(4-Nitro-1,3-dioxoisoindolin-2-yl)pentanedioic Acid, 1-(4-nitro-1,3-dioxoisoindolin-2-yl)propane-1,3-dicarboxylic acid, 2-(1,3-Dihydro-4-nitro-1,3-dioxo-2H-isoindol-2-yl)pentanedioic Acid, 2-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)pentanedioic acid
| Molecular Formula | C13H10N2O8 |
|---|---|
| Molecular Weight | 322.04 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 322.0437 |
| Heavy Atoms | 23 |
| Complexity | 569.0 |
Chemical Identifiers
| CAS Number | 18636-08-3 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)C(CCC(=O)O)C(=O)O |
| InChIKey | WHGCSJYLVKPHSS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(4-Nitro-1,3-dioxoisoindolin-2-yl)propane-1,3-dicarboxylic acid (CAS 18636-08-3), with molecular formula C13H10N2O8 and molecular weight 322.04 g/mol. IUPAC: 2-(4-nitro-1,3-dioxoisoindol-2-yl)pentanedioic acid.
Chemical Property Profile of 1-(4-Nitro-1,3-dioxoisoindolin-2-yl)propane-1,3-dicarboxylic acid
Property Insights of 1-(4-Nitro-1,3-dioxoisoindolin-2-yl)propane-1,3-dicarboxylic acid
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Nitro-1,3-dioxoisoindolin-2-yl)propane-1,3-dicarboxylic acid. The TPSA of 158.0 Ų indicates high polarity, suggesting 1-(4-Nitro-1,3-dioxoisoindolin-2-yl)propane-1,3-dicarboxylic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-(4-Nitro-1,3-dioxoisoindolin-2-yl)propane-1,3-dicarboxylic 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 1-(4-Nitro-1,3-dioxoisoindolin-2-yl)propane-1,3-dicarboxylic acid?
The CAS number of 1-(4-Nitro-1,3-dioxoisoindolin-2-yl)propane-1,3-dicarboxylic acid is 18636-08-3.
What is the molecular formula of 1-(4-Nitro-1,3-dioxoisoindolin-2-yl)propane-1,3-dicarboxylic acid?
The molecular formula of 1-(4-Nitro-1,3-dioxoisoindolin-2-yl)propane-1,3-dicarboxylic acid is C13H10N2O8.
What is the molecular weight of 1-(4-Nitro-1,3-dioxoisoindolin-2-yl)propane-1,3-dicarboxylic acid?
The molecular weight of 1-(4-Nitro-1,3-dioxoisoindolin-2-yl)propane-1,3-dicarboxylic acid is 322.04 g/mol.
Where can I buy 1-(4-Nitro-1,3-dioxoisoindolin-2-yl)propane-1,3-dicarboxylic acid?
You can request a quote for 1-(4-Nitro-1,3-dioxoisoindolin-2-yl)propane-1,3-dicarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Nitro-1,3-dioxoisoindolin-2-yl)propane-1,3-dicarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Nitro-1,3-dioxoisoindolin-2-yl)propane-1,3-dicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.