3-(4-Nitro-1,3-dioxoisoindolin-2-yl)phenyl propionate
TL;DR: 3-(4-Nitro-1,3-dioxoisoindolin-2-yl)phenyl propionate (CAS 321979-01-5) is a chemical compound with molecular formula C17H12N2O6 and molecular weight 340.07 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)phenyl] propanoate
Also Known As: 3-(4-nitro-1,3-dioxoisoindolin-2-yl)phenyl propionate, [3-(4-nitro-1,3-dioxoisoindol-2-yl)phenyl] propanoate, 3-(4-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)phenyl propanoate, F0827-0123, 3-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)phenyl propanoate
| Molecular Formula | C17H12N2O6 |
|---|---|
| Molecular Weight | 340.07 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 340.06955 |
| Heavy Atoms | 25 |
| Complexity | 586.0 |
Chemical Identifiers
| CAS Number | 321979-01-5 |
|---|---|
| SMILES | CCC(=O)OC1=CC=CC(=C1)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-] |
| InChIKey | DYLWDTRRBLOKCY-UHFFFAOYSA-N |
Product Overview
3-(4-Nitro-1,3-dioxoisoindolin-2-yl)phenyl propionate (CAS 321979-01-5), with molecular formula C17H12N2O6 and molecular weight 340.07 g/mol. IUPAC: [3-(4-nitro-1,3-dioxoisoindol-2-yl)phenyl] propanoate.
Chemical Property Profile of 3-(4-Nitro-1,3-dioxoisoindolin-2-yl)phenyl propionate
Property Insights of 3-(4-Nitro-1,3-dioxoisoindolin-2-yl)phenyl propionate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Nitro-1,3-dioxoisoindolin-2-yl)phenyl propionate. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Nitro-1,3-dioxoisoindolin-2-yl)phenyl propionate. Following Lipinski's Rule of Five, 3-(4-Nitro-1,3-dioxoisoindolin-2-yl)phenyl propionate has 0 hydrogen bond donor(s) and 6 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)phenyl propionate?
The CAS number of 3-(4-Nitro-1,3-dioxoisoindolin-2-yl)phenyl propionate is 321979-01-5.
What is the molecular formula of 3-(4-Nitro-1,3-dioxoisoindolin-2-yl)phenyl propionate?
The molecular formula of 3-(4-Nitro-1,3-dioxoisoindolin-2-yl)phenyl propionate is C17H12N2O6.
What is the molecular weight of 3-(4-Nitro-1,3-dioxoisoindolin-2-yl)phenyl propionate?
The molecular weight of 3-(4-Nitro-1,3-dioxoisoindolin-2-yl)phenyl propionate is 340.07 g/mol.
Where can I buy 3-(4-Nitro-1,3-dioxoisoindolin-2-yl)phenyl propionate?
You can request a quote for 3-(4-Nitro-1,3-dioxoisoindolin-2-yl)phenyl propionate 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)phenyl propionate?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Nitro-1,3-dioxoisoindolin-2-yl)phenyl propionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.