3-(4-Nitro-1,3-dioxoisoindolin-2-yl)propanoic acid
TL;DR: 3-(4-Nitro-1,3-dioxoisoindolin-2-yl)propanoic acid (CAS 15728-05-9) 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.
3-(4-nitro-1,3-dioxoisoindol-2-yl)propanoic acid
Also Known As: 3-(4-Nitro-1,3-dioxoisoindolin-2-yl)propanoic acid, 3-(4-nitro-1,3-dioxoisoindol-2-yl)propanoic acid, 3-(3-nitrophthalimido)propionic acid, 3-(4-Nitro-1,3-dioxo-1,3-dihydro-isoindol-2-yl)-propionic acid, BAS 00031005
| Molecular Formula | C11H8N2O6 |
|---|---|
| Molecular Weight | 264.04 g/mol |
| LogP | 0.6655 |
| Topological Polar Surface Area | 117.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 264.03824 |
| Heavy Atoms | 19 |
| Complexity | 609.203 |
Chemical Identifiers
| CAS Number | 15728-05-9 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)CCC(=O)O |
Product Overview
3-(4-Nitro-1,3-dioxoisoindolin-2-yl)propanoic acid (CAS 15728-05-9), with molecular formula C11H8N2O6 and molecular weight 264.04 g/mol. IUPAC: 3-(4-nitro-1,3-dioxoisoindol-2-yl)propanoic acid.
Chemical Property Profile of 3-(4-Nitro-1,3-dioxoisoindolin-2-yl)propanoic acid
Property Insights of 3-(4-Nitro-1,3-dioxoisoindolin-2-yl)propanoic acid
The XLogP value of 0.6655 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Nitro-1,3-dioxoisoindolin-2-yl)propanoic acid. The TPSA of 117.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Nitro-1,3-dioxoisoindolin-2-yl)propanoic acid. Following Lipinski's Rule of Five, 3-(4-Nitro-1,3-dioxoisoindolin-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 3-(4-Nitro-1,3-dioxoisoindolin-2-yl)propanoic acid?
The CAS number of 3-(4-Nitro-1,3-dioxoisoindolin-2-yl)propanoic acid is 15728-05-9.
What is the molecular formula of 3-(4-Nitro-1,3-dioxoisoindolin-2-yl)propanoic acid?
The molecular formula of 3-(4-Nitro-1,3-dioxoisoindolin-2-yl)propanoic acid is C11H8N2O6.
What is the molecular weight of 3-(4-Nitro-1,3-dioxoisoindolin-2-yl)propanoic acid?
The molecular weight of 3-(4-Nitro-1,3-dioxoisoindolin-2-yl)propanoic acid is 264.04 g/mol.
Where can I buy 3-(4-Nitro-1,3-dioxoisoindolin-2-yl)propanoic acid?
You can request a quote for 3-(4-Nitro-1,3-dioxoisoindolin-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 3-(4-Nitro-1,3-dioxoisoindolin-2-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Nitro-1,3-dioxoisoindolin-2-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.