4-Acetamido-N,N-dibenzyl-3-nitrobenzamide
TL;DR: 4-Acetamido-N,N-dibenzyl-3-nitrobenzamide (CAS 95319-97-4) is a chemical compound with molecular formula C23H21N3O4 and molecular weight 403.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-acetamido-N,N-dibenzyl-3-nitrobenzamide
Also Known As: 4-Acetamido-N,N-dibenzyl-3-nitrobenzamide, 2'-Nitro-4'-dibenzylcarbamoylacetanilid, N,N-dibenzyl-4-acetamido-3-nitrobenzamide, J1.395.054G, 4-(Acetylamino)-3-nitro-N,N-dibenzylbenzamide
| Molecular Formula | C23H21N3O4 |
|---|---|
| Molecular Weight | 403.15 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 95.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 403.1532 |
| Heavy Atoms | 30 |
| Complexity | 574.0 |
Chemical Identifiers
| CAS Number | 95319-97-4 |
|---|---|
| SMILES | CC(=O)NC1=C(C=C(C=C1)C(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3)[N+](=O)[O-] |
| InChIKey | VWNUTUPMNUMFOK-UHFFFAOYSA-N |
Product Overview
4-Acetamido-N,N-dibenzyl-3-nitrobenzamide (CAS 95319-97-4), with molecular formula C23H21N3O4 and molecular weight 403.15 g/mol. IUPAC: 4-acetamido-N,N-dibenzyl-3-nitrobenzamide.
Chemical Property Profile of 4-Acetamido-N,N-dibenzyl-3-nitrobenzamide
Property Insights of 4-Acetamido-N,N-dibenzyl-3-nitrobenzamide
The XLogP value of 3.6 indicates that 4-Acetamido-N,N-dibenzyl-3-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Acetamido-N,N-dibenzyl-3-nitrobenzamide. Following Lipinski's Rule of Five, 4-Acetamido-N,N-dibenzyl-3-nitrobenzamide has 1 hydrogen bond donor(s) and 4 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-Acetamido-N,N-dibenzyl-3-nitrobenzamide?
The CAS number of 4-Acetamido-N,N-dibenzyl-3-nitrobenzamide is 95319-97-4.
What is the molecular formula of 4-Acetamido-N,N-dibenzyl-3-nitrobenzamide?
The molecular formula of 4-Acetamido-N,N-dibenzyl-3-nitrobenzamide is C23H21N3O4.
What is the molecular weight of 4-Acetamido-N,N-dibenzyl-3-nitrobenzamide?
The molecular weight of 4-Acetamido-N,N-dibenzyl-3-nitrobenzamide is 403.15 g/mol.
Where can I buy 4-Acetamido-N,N-dibenzyl-3-nitrobenzamide?
You can request a quote for 4-Acetamido-N,N-dibenzyl-3-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Acetamido-N,N-dibenzyl-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-Acetamido-N,N-dibenzyl-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.