3-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl acetate
TL;DR: 3-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl acetate (CAS 332382-50-0) is a chemical compound with molecular formula C13H12N2O6 and molecular weight 292.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5-nitro-1,3-dioxoisoindol-2-yl)propyl acetate
Also Known As: BIM-0003692.P001, 3-(5-nitro-1,3-dioxoisoindol-2-yl)propyl acetate, 3-(5-nitro-1,3-dioxoisoindolin-2-yl)propyl acetate, 3-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl acetate, 3-(5-NITRO-1,3-DIOXO-2,3-DIHYDRO-1H-ISOINDOL-2-YL)PROPYL ACETATE
| Molecular Formula | C13H12N2O6 |
|---|---|
| Molecular Weight | 292.07 g/mol |
| LogP | 1.144 |
| Topological Polar Surface Area | 106.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 292.06955 |
| Heavy Atoms | 21 |
| Complexity | 639.5487 |
Chemical Identifiers
| CAS Number | 332382-50-0 |
|---|---|
| SMILES | CC(=O)OCCCN1C(=O)C2=C(C1=O)C=C(C=C2)[N+](=O)[O-] |
Product Overview
3-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl acetate (CAS 332382-50-0), with molecular formula C13H12N2O6 and molecular weight 292.07 g/mol. IUPAC: 3-(5-nitro-1,3-dioxoisoindol-2-yl)propyl acetate.
Chemical Property Profile of 3-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl acetate
Property Insights of 3-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl acetate
The XLogP value of 1.144 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl acetate. The TPSA of 106.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl acetate. Following Lipinski's Rule of Five, 3-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl acetate 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-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl acetate?
The CAS number of 3-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl acetate is 332382-50-0.
What is the molecular formula of 3-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl acetate?
The molecular formula of 3-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl acetate is C13H12N2O6.
What is the molecular weight of 3-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl acetate?
The molecular weight of 3-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl acetate is 292.07 g/mol.
Where can I buy 3-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl acetate?
You can request a quote for 3-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.