2-(6-Nitro-1-oxoisoindolin-2-yl)acetic acid
TL;DR: 2-(6-Nitro-1-oxoisoindolin-2-yl)acetic acid (CAS 694499-69-9) is a chemical compound with molecular formula C10H8N2O5 and molecular weight 236.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-nitro-3-oxo-1H-isoindol-2-yl)acetic acid
Also Known As: 2-(6-nitro-1-oxoisoindolin-2-yl)acetic acid, (6-Nitro-1-oxo-1,3-dihydro-2H-isoindol-2-yl)acetic acid, 8267AE, 2-(5-nitro-3-oxo-1H-isoindol-2-yl)acetic Acid, 2-(6-nitro-1-oxo-2,3-dihydro-1H-isoindol-2-yl)acetic acid
| Molecular Formula | C10H8N2O5 |
|---|---|
| Molecular Weight | 236.04 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.04332 |
| Heavy Atoms | 17 |
| Complexity | 364.0 |
Chemical Identifiers
| CAS Number | 694499-69-9 |
|---|---|
| SMILES | C1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N1CC(=O)O |
| InChIKey | CGLRVRCSFIJQGS-UHFFFAOYSA-N |
Product Overview
2-(6-Nitro-1-oxoisoindolin-2-yl)acetic acid (CAS 694499-69-9), with molecular formula C10H8N2O5 and molecular weight 236.04 g/mol. IUPAC: 2-(5-nitro-3-oxo-1H-isoindol-2-yl)acetic acid.
Chemical Property Profile of 2-(6-Nitro-1-oxoisoindolin-2-yl)acetic acid
Property Insights of 2-(6-Nitro-1-oxoisoindolin-2-yl)acetic acid
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(6-Nitro-1-oxoisoindolin-2-yl)acetic acid. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(6-Nitro-1-oxoisoindolin-2-yl)acetic acid. Following Lipinski's Rule of Five, 2-(6-Nitro-1-oxoisoindolin-2-yl)acetic acid has 1 hydrogen bond donor(s) and 5 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-(6-Nitro-1-oxoisoindolin-2-yl)acetic acid?
The CAS number of 2-(6-Nitro-1-oxoisoindolin-2-yl)acetic acid is 694499-69-9.
What is the molecular formula of 2-(6-Nitro-1-oxoisoindolin-2-yl)acetic acid?
The molecular formula of 2-(6-Nitro-1-oxoisoindolin-2-yl)acetic acid is C10H8N2O5.
What is the molecular weight of 2-(6-Nitro-1-oxoisoindolin-2-yl)acetic acid?
The molecular weight of 2-(6-Nitro-1-oxoisoindolin-2-yl)acetic acid is 236.04 g/mol.
Where can I buy 2-(6-Nitro-1-oxoisoindolin-2-yl)acetic acid?
You can request a quote for 2-(6-Nitro-1-oxoisoindolin-2-yl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(6-Nitro-1-oxoisoindolin-2-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(6-Nitro-1-oxoisoindolin-2-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.