Propyl 2-{4-nitrophenyl}-1,3-dioxo-5-isoindolinecarboxylate
TL;DR: Propyl 2-{4-nitrophenyl}-1,3-dioxo-5-isoindolinecarboxylate (CAS 330979-99-2) is a chemical compound with molecular formula C18H14N2O6 and molecular weight 354.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 2-(4-nitrophenyl)-1,3-dioxoisoindole-5-carboxylate
Also Known As: BAS 00315758, propyl 2-{4-nitrophenyl}-1,3-dioxo-5-isoindolinecarboxylate, propyl 2-(4-nitrophenyl)-1,3-dioxoisoindole-5-carboxylate, propyl 2-(4-nitrophenyl)-1,3-dioxobenzo[c]azoline-5-carboxylate, propyl 2-(4-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate
| Molecular Formula | C18H14N2O6 |
|---|---|
| Molecular Weight | 354.09 g/mol |
| LogP | 2.9622 |
| Topological Polar Surface Area | 106.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 354.08517 |
| Heavy Atoms | 26 |
| Complexity | 919.7786 |
Chemical Identifiers
| CAS Number | 330979-99-2 |
|---|---|
| SMILES | CCCOC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
Propyl 2-{4-nitrophenyl}-1,3-dioxo-5-isoindolinecarboxylate (CAS 330979-99-2), with molecular formula C18H14N2O6 and molecular weight 354.09 g/mol. IUPAC: propyl 2-(4-nitrophenyl)-1,3-dioxoisoindole-5-carboxylate.
Chemical Property Profile of Propyl 2-{4-nitrophenyl}-1,3-dioxo-5-isoindolinecarboxylate
Property Insights of Propyl 2-{4-nitrophenyl}-1,3-dioxo-5-isoindolinecarboxylate
The XLogP value of 2.9622 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propyl 2-{4-nitrophenyl}-1,3-dioxo-5-isoindolinecarboxylate. The TPSA of 106.82 Ų falls within the moderate polarity range, balancing permeability and solubility for Propyl 2-{4-nitrophenyl}-1,3-dioxo-5-isoindolinecarboxylate. Following Lipinski's Rule of Five, Propyl 2-{4-nitrophenyl}-1,3-dioxo-5-isoindolinecarboxylate 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 Propyl 2-{4-nitrophenyl}-1,3-dioxo-5-isoindolinecarboxylate?
The CAS number of Propyl 2-{4-nitrophenyl}-1,3-dioxo-5-isoindolinecarboxylate is 330979-99-2.
What is the molecular formula of Propyl 2-{4-nitrophenyl}-1,3-dioxo-5-isoindolinecarboxylate?
The molecular formula of Propyl 2-{4-nitrophenyl}-1,3-dioxo-5-isoindolinecarboxylate is C18H14N2O6.
What is the molecular weight of Propyl 2-{4-nitrophenyl}-1,3-dioxo-5-isoindolinecarboxylate?
The molecular weight of Propyl 2-{4-nitrophenyl}-1,3-dioxo-5-isoindolinecarboxylate is 354.09 g/mol.
Where can I buy Propyl 2-{4-nitrophenyl}-1,3-dioxo-5-isoindolinecarboxylate?
You can request a quote for Propyl 2-{4-nitrophenyl}-1,3-dioxo-5-isoindolinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propyl 2-{4-nitrophenyl}-1,3-dioxo-5-isoindolinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Propyl 2-{4-nitrophenyl}-1,3-dioxo-5-isoindolinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.