N~1~,N~3~-Dibenzyl-5-nitrobenzene-1,3-dicarboxamide
TL;DR: N~1~,N~3~-Dibenzyl-5-nitrobenzene-1,3-dicarboxamide (CAS 349408-65-7) is a chemical compound with molecular formula C22H19N3O4 and molecular weight 389.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-N,3-N-dibenzyl-5-nitrobenzene-1,3-dicarboxamide
Also Known As: N,N'-dibenzyl-5-nitrobenzene-1,3-dicarboxamide, N,N'-dibenzyl-5-nitro-benzene-1,3-dicarboxamide, 1-N,3-N-dibenzyl-5-nitrobenzene-1,3-dicarboxamide, N~1~,N~3~-Dibenzyl-5-nitrobenzene-1,3-dicarboxamide, 5-Nitro-N1,N3-bis(phenylmethyl)-1,3-benzenedicarboxamide
| Molecular Formula | C22H19N3O4 |
|---|---|
| Molecular Weight | 389.14 g/mol |
| LogP | 3.4548 |
| Topological Polar Surface Area | 101.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 389.13754 |
| Heavy Atoms | 29 |
| Complexity | 946.99207 |
Chemical Identifiers
| CAS Number | 349408-65-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)NCC3=CC=CC=C3 |
Product Overview
N~1~,N~3~-Dibenzyl-5-nitrobenzene-1,3-dicarboxamide (CAS 349408-65-7), with molecular formula C22H19N3O4 and molecular weight 389.14 g/mol. IUPAC: 1-N,3-N-dibenzyl-5-nitrobenzene-1,3-dicarboxamide.
Chemical Property Profile of N~1~,N~3~-Dibenzyl-5-nitrobenzene-1,3-dicarboxamide
Property Insights of N~1~,N~3~-Dibenzyl-5-nitrobenzene-1,3-dicarboxamide
The XLogP value of 3.4548 indicates that N~1~,N~3~-Dibenzyl-5-nitrobenzene-1,3-dicarboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.34 Ų falls within the moderate polarity range, balancing permeability and solubility for N~1~,N~3~-Dibenzyl-5-nitrobenzene-1,3-dicarboxamide. Following Lipinski's Rule of Five, N~1~,N~3~-Dibenzyl-5-nitrobenzene-1,3-dicarboxamide has 2 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 N~1~,N~3~-Dibenzyl-5-nitrobenzene-1,3-dicarboxamide?
The CAS number of N~1~,N~3~-Dibenzyl-5-nitrobenzene-1,3-dicarboxamide is 349408-65-7.
What is the molecular formula of N~1~,N~3~-Dibenzyl-5-nitrobenzene-1,3-dicarboxamide?
The molecular formula of N~1~,N~3~-Dibenzyl-5-nitrobenzene-1,3-dicarboxamide is C22H19N3O4.
What is the molecular weight of N~1~,N~3~-Dibenzyl-5-nitrobenzene-1,3-dicarboxamide?
The molecular weight of N~1~,N~3~-Dibenzyl-5-nitrobenzene-1,3-dicarboxamide is 389.14 g/mol.
Where can I buy N~1~,N~3~-Dibenzyl-5-nitrobenzene-1,3-dicarboxamide?
You can request a quote for N~1~,N~3~-Dibenzyl-5-nitrobenzene-1,3-dicarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N~1~,N~3~-Dibenzyl-5-nitrobenzene-1,3-dicarboxamide?
Yes, KEHONG BIO provides custom synthesis services for N~1~,N~3~-Dibenzyl-5-nitrobenzene-1,3-dicarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.