4-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 4-nitrobenzoate
TL;DR: 4-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 4-nitrobenzoate (CAS 351497-84-2) is a chemical compound with molecular formula C21H18N2O6 and molecular weight 394.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl] 4-nitrobenzoate
Also Known As: 4-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 4-nitrobenzoate, [4-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl] 4-nitrobenzoate, 4-(1,3-dioxohexahydro-1H-isoindol-2(3H)-yl)phenyl 4-nitrobenzoate, 4-(1,3-DIOXO-OCTAHYDRO-1H-ISOINDOL-2-YL)PHENYL 4-NITROBENZOATE
| Molecular Formula | C21H18N2O6 |
|---|---|
| Molecular Weight | 394.12 g/mol |
| LogP | 3.4936 |
| Topological Polar Surface Area | 106.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 394.1165 |
| Heavy Atoms | 29 |
| Complexity | 959.23584 |
Chemical Identifiers
| CAS Number | 351497-84-2 |
|---|---|
| SMILES | C1CCC2C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
4-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 4-nitrobenzoate (CAS 351497-84-2), with molecular formula C21H18N2O6 and molecular weight 394.12 g/mol. IUPAC: [4-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl] 4-nitrobenzoate.
Chemical Property Profile of 4-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 4-nitrobenzoate
Property Insights of 4-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 4-nitrobenzoate
The XLogP value of 3.4936 indicates that 4-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 4-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 4-nitrobenzoate. Following Lipinski's Rule of Five, 4-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 4-nitrobenzoate 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 4-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 4-nitrobenzoate?
The CAS number of 4-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 4-nitrobenzoate is 351497-84-2.
What is the molecular formula of 4-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 4-nitrobenzoate?
The molecular formula of 4-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 4-nitrobenzoate is C21H18N2O6.
What is the molecular weight of 4-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 4-nitrobenzoate?
The molecular weight of 4-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 4-nitrobenzoate is 394.12 g/mol.
Where can I buy 4-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 4-nitrobenzoate?
You can request a quote for 4-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 4-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.