N-tert-butyl-4-nitro-N-(4-nitrobenzyl)benzamide
TL;DR: N-tert-butyl-4-nitro-N-(4-nitrobenzyl)benzamide (CAS 363590-91-4) is a chemical compound with molecular formula C18H19N3O5 and molecular weight 357.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-tert-butyl-4-nitro-N-[(4-nitrophenyl)methyl]benzamide
Also Known As: N-tert-butyl-4-nitro-N-(4-nitrobenzyl)benzamide, N-(tert-Butyl)-4-nitro-N-(4-nitrobenzyl)benzamide, N-tert-butyl-4-nitro-N-[(4-nitrophenyl)methyl]benzamide
| Molecular Formula | C18H19N3O5 |
|---|---|
| Molecular Weight | 357.13 g/mol |
| LogP | 3.9439 |
| Topological Polar Surface Area | 106.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 357.13248 |
| Heavy Atoms | 26 |
| Complexity | 823.4002 |
Chemical Identifiers
| CAS Number | 363590-91-4 |
|---|---|
| SMILES | CC(C)(C)N(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
N-tert-butyl-4-nitro-N-(4-nitrobenzyl)benzamide (CAS 363590-91-4), with molecular formula C18H19N3O5 and molecular weight 357.13 g/mol. IUPAC: N-tert-butyl-4-nitro-N-[(4-nitrophenyl)methyl]benzamide.
Chemical Property Profile of N-tert-butyl-4-nitro-N-(4-nitrobenzyl)benzamide
Property Insights of N-tert-butyl-4-nitro-N-(4-nitrobenzyl)benzamide
The XLogP value of 3.9439 indicates that N-tert-butyl-4-nitro-N-(4-nitrobenzyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.59 Ų falls within the moderate polarity range, balancing permeability and solubility for N-tert-butyl-4-nitro-N-(4-nitrobenzyl)benzamide. Following Lipinski's Rule of Five, N-tert-butyl-4-nitro-N-(4-nitrobenzyl)benzamide 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-tert-butyl-4-nitro-N-(4-nitrobenzyl)benzamide?
The CAS number of N-tert-butyl-4-nitro-N-(4-nitrobenzyl)benzamide is 363590-91-4.
What is the molecular formula of N-tert-butyl-4-nitro-N-(4-nitrobenzyl)benzamide?
The molecular formula of N-tert-butyl-4-nitro-N-(4-nitrobenzyl)benzamide is C18H19N3O5.
What is the molecular weight of N-tert-butyl-4-nitro-N-(4-nitrobenzyl)benzamide?
The molecular weight of N-tert-butyl-4-nitro-N-(4-nitrobenzyl)benzamide is 357.13 g/mol.
Where can I buy N-tert-butyl-4-nitro-N-(4-nitrobenzyl)benzamide?
You can request a quote for N-tert-butyl-4-nitro-N-(4-nitrobenzyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-tert-butyl-4-nitro-N-(4-nitrobenzyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-tert-butyl-4-nitro-N-(4-nitrobenzyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.