N-benzyl-N-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)-3-nitrobenzamide
TL;DR: N-benzyl-N-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)-3-nitrobenzamide (CAS 1005127-70-7) is a chemical compound with molecular formula C23H21N3O5 and molecular weight 419.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-N-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-3-nitrobenzamide
Also Known As: N-benzyl-N-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)-3-nitrobenzamide, N-benzyl-N-(1,3-dioxohexahydro-1H-4,7-methanoisoindol-2(3H)-yl)-3-nitrobenzamide
| Molecular Formula | C23H21N3O5 |
|---|---|
| Molecular Weight | 419.15 g/mol |
| LogP | 3.1833 |
| Topological Polar Surface Area | 100.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 419.14813 |
| Heavy Atoms | 31 |
| Complexity | 1057.6294 |
Chemical Identifiers
| CAS Number | 1005127-70-7 |
|---|---|
| SMILES | C1CC2CC1C3C2C(=O)N(C3=O)N(CC4=CC=CC=C4)C(=O)C5=CC(=CC=C5)[N+](=O)[O-] |
Product Overview
N-benzyl-N-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)-3-nitrobenzamide (CAS 1005127-70-7), with molecular formula C23H21N3O5 and molecular weight 419.15 g/mol. IUPAC: N-benzyl-N-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-3-nitrobenzamide.
Chemical Property Profile of N-benzyl-N-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)-3-nitrobenzamide
Property Insights of N-benzyl-N-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)-3-nitrobenzamide
The XLogP value of 3.1833 indicates that N-benzyl-N-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)-3-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-benzyl-N-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)-3-nitrobenzamide. Following Lipinski's Rule of Five, N-benzyl-N-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)-3-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-benzyl-N-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)-3-nitrobenzamide?
The CAS number of N-benzyl-N-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)-3-nitrobenzamide is 1005127-70-7.
What is the molecular formula of N-benzyl-N-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)-3-nitrobenzamide?
The molecular formula of N-benzyl-N-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)-3-nitrobenzamide is C23H21N3O5.
What is the molecular weight of N-benzyl-N-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)-3-nitrobenzamide?
The molecular weight of N-benzyl-N-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)-3-nitrobenzamide is 419.15 g/mol.
Where can I buy N-benzyl-N-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)-3-nitrobenzamide?
You can request a quote for N-benzyl-N-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)-3-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzyl-N-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-N-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.