N,N-dibenzyl-2-nitrobenzamide
TL;DR: N,N-dibenzyl-2-nitrobenzamide (CAS 57409-27-5) is a chemical compound with molecular formula C21H18N2O3 and molecular weight 346.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dibenzyl-2-nitrobenzamide
Also Known As: N,N-dibenzyl-2-nitrobenzamide, o-Nitro-N,N-dibenzyl-benzamid, Benzamide, 2-nitro-N,N-bis(phenylmethyl)-, (2-nitrophenyl)-N,N-bisbenzylcarboxamide, BIM-0011851.P001
| Molecular Formula | C21H18N2O3 |
|---|---|
| Molecular Weight | 346.13 g/mol |
| LogP | 4.4374 |
| Topological Polar Surface Area | 63.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 346.13174 |
| Heavy Atoms | 26 |
| Complexity | 853.89935 |
Chemical Identifiers
| CAS Number | 57409-27-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)C3=CC=CC=C3[N+](=O)[O-] |
Product Overview
N,N-dibenzyl-2-nitrobenzamide (CAS 57409-27-5), with molecular formula C21H18N2O3 and molecular weight 346.13 g/mol. IUPAC: N,N-dibenzyl-2-nitrobenzamide.
Chemical Property Profile of N,N-dibenzyl-2-nitrobenzamide
Property Insights of N,N-dibenzyl-2-nitrobenzamide
The XLogP value of 4.4374 indicates that N,N-dibenzyl-2-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.45 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N-dibenzyl-2-nitrobenzamide. Following Lipinski's Rule of Five, N,N-dibenzyl-2-nitrobenzamide has 0 hydrogen bond donor(s) and 3 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,N-dibenzyl-2-nitrobenzamide?
The CAS number of N,N-dibenzyl-2-nitrobenzamide is 57409-27-5.
What is the molecular formula of N,N-dibenzyl-2-nitrobenzamide?
The molecular formula of N,N-dibenzyl-2-nitrobenzamide is C21H18N2O3.
What is the molecular weight of N,N-dibenzyl-2-nitrobenzamide?
The molecular weight of N,N-dibenzyl-2-nitrobenzamide is 346.13 g/mol.
Where can I buy N,N-dibenzyl-2-nitrobenzamide?
You can request a quote for N,N-dibenzyl-2-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-dibenzyl-2-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N,N-dibenzyl-2-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.