N-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)-N-(2-fluorobenzyl)-4-nitrobenzamide
TL;DR: N-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)-N-(2-fluorobenzyl)-4-nitrobenzamide (CAS 838272-63-2) is a chemical compound with molecular formula C22H18FN3O5 and molecular weight 423.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-[(2-fluorophenyl)methyl]-4-nitrobenzamide
Also Known As: N-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)-N-(2-fluorobenzyl)-4-nitrobenzamide, N-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-[(2-fluorophenyl)methyl]-4-nitrobenzamide
| Molecular Formula | C22H18FN3O5 |
|---|---|
| Molecular Weight | 423.12 g/mol |
| LogP | 3.2425 |
| Topological Polar Surface Area | 100.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 423.12305 |
| Heavy Atoms | 31 |
| Complexity | 1072.5802 |
Chemical Identifiers
| CAS Number | 838272-63-2 |
|---|---|
| SMILES | C1C=CCC2C1C(=O)N(C2=O)N(CC3=CC=CC=C3F)C(=O)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
N-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)-N-(2-fluorobenzyl)-4-nitrobenzamide (CAS 838272-63-2), with molecular formula C22H18FN3O5 and molecular weight 423.12 g/mol. IUPAC: N-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-[(2-fluorophenyl)methyl]-4-nitrobenzamide.
Chemical Property Profile of N-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)-N-(2-fluorobenzyl)-4-nitrobenzamide
Property Insights of N-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)-N-(2-fluorobenzyl)-4-nitrobenzamide
The XLogP value of 3.2425 indicates that N-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)-N-(2-fluorobenzyl)-4-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.83 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)-N-(2-fluorobenzyl)-4-nitrobenzamide. Following Lipinski's Rule of Five, N-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)-N-(2-fluorobenzyl)-4-nitrobenzamide has 0 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 N-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)-N-(2-fluorobenzyl)-4-nitrobenzamide?
The CAS number of N-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)-N-(2-fluorobenzyl)-4-nitrobenzamide is 838272-63-2.
What is the molecular formula of N-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)-N-(2-fluorobenzyl)-4-nitrobenzamide?
The molecular formula of N-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)-N-(2-fluorobenzyl)-4-nitrobenzamide is C22H18FN3O5.
What is the molecular weight of N-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)-N-(2-fluorobenzyl)-4-nitrobenzamide?
The molecular weight of N-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)-N-(2-fluorobenzyl)-4-nitrobenzamide is 423.12 g/mol.
Where can I buy N-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)-N-(2-fluorobenzyl)-4-nitrobenzamide?
You can request a quote for N-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)-N-(2-fluorobenzyl)-4-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)-N-(2-fluorobenzyl)-4-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)-N-(2-fluorobenzyl)-4-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.