2-(5-Nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)pentanedioic acid
TL;DR: 2-(5-Nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)pentanedioic acid (CAS 18636-09-4) 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-(5-nitro-1,3-dioxoisoindol-2-yl)pentanedioic acid
Also Known As: 2-(5-nitro-1,3-dioxoisoindol-2-yl)pentanedioic acid, 2-(5-Nitro-1,3-dioxo-isoindol-2-yl)pentanedioic acid, 2-(5-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 | 18636-09-4 |
|---|---|
| SMILES | C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(C2=O)C(CCC(=O)O)C(=O)O |
| InChIKey | JXLWNXVXUSLZIW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(5-Nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)pentanedioic acid (CAS 18636-09-4), with molecular formula C13H10N2O8 and molecular weight 322.04 g/mol. IUPAC: 2-(5-nitro-1,3-dioxoisoindol-2-yl)pentanedioic acid.
Chemical Property Profile of 2-(5-Nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)pentanedioic acid
Property Insights of 2-(5-Nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)pentanedioic acid
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(5-Nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)pentanedioic acid. The TPSA of 158.0 Ų indicates high polarity, suggesting 2-(5-Nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)pentanedioic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(5-Nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)pentanedioic 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 2-(5-Nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)pentanedioic acid?
The CAS number of 2-(5-Nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)pentanedioic acid is 18636-09-4.
What is the molecular formula of 2-(5-Nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)pentanedioic acid?
The molecular formula of 2-(5-Nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)pentanedioic acid is C13H10N2O8.
What is the molecular weight of 2-(5-Nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)pentanedioic acid?
The molecular weight of 2-(5-Nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)pentanedioic acid is 322.04 g/mol.
Where can I buy 2-(5-Nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)pentanedioic acid?
You can request a quote for 2-(5-Nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)pentanedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(5-Nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)pentanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(5-Nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)pentanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.