N-(4-methylbenzyl)-4-nitrobenzamide
TL;DR: N-(4-methylbenzyl)-4-nitrobenzamide (CAS 107680-87-5) is a chemical compound with molecular formula C15H14N2O3 and molecular weight 270.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-methylphenyl)methyl]-4-nitrobenzamide
Also Known As: N-(4-methylbenzyl)-4-nitrobenzamide, N-[(4-methylphenyl)methyl]-4-nitrobenzamide, N-(4-Methyl-benzyl)-4-nitro-benzamide, BIM-0023011.P001, N-(4-Methylbenzyl)-4-nitrobenzenecarboxamide
| Molecular Formula | C15H14N2O3 |
|---|---|
| Molecular Weight | 270.10 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 74.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 270.10043 |
| Heavy Atoms | 20 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 107680-87-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | POIRBBCLWMCJFV-UHFFFAOYSA-N |
Product Overview
N-(4-methylbenzyl)-4-nitrobenzamide (CAS 107680-87-5), with molecular formula C15H14N2O3 and molecular weight 270.10 g/mol. IUPAC: N-[(4-methylphenyl)methyl]-4-nitrobenzamide.
Chemical Property Profile of N-(4-methylbenzyl)-4-nitrobenzamide
Property Insights of N-(4-methylbenzyl)-4-nitrobenzamide
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-methylbenzyl)-4-nitrobenzamide. The TPSA of 74.9 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-methylbenzyl)-4-nitrobenzamide. Following Lipinski's Rule of Five, N-(4-methylbenzyl)-4-nitrobenzamide has 1 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-(4-methylbenzyl)-4-nitrobenzamide?
The CAS number of N-(4-methylbenzyl)-4-nitrobenzamide is 107680-87-5.
What is the molecular formula of N-(4-methylbenzyl)-4-nitrobenzamide?
The molecular formula of N-(4-methylbenzyl)-4-nitrobenzamide is C15H14N2O3.
What is the molecular weight of N-(4-methylbenzyl)-4-nitrobenzamide?
The molecular weight of N-(4-methylbenzyl)-4-nitrobenzamide is 270.10 g/mol.
Where can I buy N-(4-methylbenzyl)-4-nitrobenzamide?
You can request a quote for N-(4-methylbenzyl)-4-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-methylbenzyl)-4-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-methylbenzyl)-4-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.