(2S)-2-(4-Nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoic acid
TL;DR: (2S)-2-(4-Nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoic acid (CAS 18627-60-6) is a chemical compound with molecular formula C11H8N2O6 and molecular weight 264.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-(4-nitro-1,3-dioxoisoindol-2-yl)propanoic acid
Also Known As: N-(3-nitrophthaloyl)alanine, (2S)-2-(4-Nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoic acid, 2-(4-nitro-1,3-dioxo-isoindol-2-yl)propanoic Acid, (2S)-2-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid, (2S)-2-(4-nitro-1,3-dioxoisoindol-2-yl)propanoic acid
| Molecular Formula | C11H8N2O6 |
|---|---|
| Molecular Weight | 264.04 g/mol |
| LogP | 0.6639 |
| Topological Polar Surface Area | 117.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 264.03824 |
| Heavy Atoms | 19 |
| Complexity | 623.61145 |
Chemical Identifiers
| CAS Number | 18627-60-6 |
|---|---|
| SMILES | C[C@@H](C(=O)O)N1C(=O)C2=C(C1=O)C(=CC=C2)[N+](=O)[O-] |
Product Overview
(2S)-2-(4-Nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoic acid (CAS 18627-60-6), with molecular formula C11H8N2O6 and molecular weight 264.04 g/mol. IUPAC: (2S)-2-(4-nitro-1,3-dioxoisoindol-2-yl)propanoic acid.
Chemical Property Profile of (2S)-2-(4-Nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoic acid
Property Insights of (2S)-2-(4-Nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoic acid
The XLogP value of 0.6639 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-2-(4-Nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoic acid. The TPSA of 117.82 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-2-(4-Nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoic acid. Following Lipinski's Rule of Five, (2S)-2-(4-Nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoic 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 (2S)-2-(4-Nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoic acid?
The CAS number of (2S)-2-(4-Nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoic acid is 18627-60-6.
What is the molecular formula of (2S)-2-(4-Nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoic acid?
The molecular formula of (2S)-2-(4-Nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoic acid is C11H8N2O6.
What is the molecular weight of (2S)-2-(4-Nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoic acid?
The molecular weight of (2S)-2-(4-Nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoic acid is 264.04 g/mol.
Where can I buy (2S)-2-(4-Nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoic acid?
You can request a quote for (2S)-2-(4-Nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S)-2-(4-Nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S)-2-(4-Nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.