N-(4-methoxybenzyl)-3,5-dinitrobenzamide
TL;DR: N-(4-methoxybenzyl)-3,5-dinitrobenzamide (CAS 107680-89-7) is a chemical compound with molecular formula C15H13N3O6 and molecular weight 331.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-methoxyphenyl)methyl]-3,5-dinitrobenzamide
Also Known As: 3,5-Dinitro-N-(4-methoxybenzyl)benzamide, N-(4-methoxybenzyl)-3,5-dinitrobenzamide, N-[(4-methoxyphenyl)methyl]-3,5-dinitrobenzamide
| Molecular Formula | C15H13N3O6 |
|---|---|
| Molecular Weight | 331.08 g/mol |
| LogP | 2.4416 |
| Topological Polar Surface Area | 124.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 331.08044 |
| Heavy Atoms | 24 |
| Complexity | 756.04645 |
Chemical Identifiers
| CAS Number | 107680-89-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
N-(4-methoxybenzyl)-3,5-dinitrobenzamide (CAS 107680-89-7), with molecular formula C15H13N3O6 and molecular weight 331.08 g/mol. IUPAC: N-[(4-methoxyphenyl)methyl]-3,5-dinitrobenzamide.
Chemical Property Profile of N-(4-methoxybenzyl)-3,5-dinitrobenzamide
Property Insights of N-(4-methoxybenzyl)-3,5-dinitrobenzamide
The XLogP value of 2.4416 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-methoxybenzyl)-3,5-dinitrobenzamide. The TPSA of 124.61 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-methoxybenzyl)-3,5-dinitrobenzamide. Following Lipinski's Rule of Five, N-(4-methoxybenzyl)-3,5-dinitrobenzamide has 1 hydrogen bond donor(s) and 6 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-methoxybenzyl)-3,5-dinitrobenzamide?
The CAS number of N-(4-methoxybenzyl)-3,5-dinitrobenzamide is 107680-89-7.
What is the molecular formula of N-(4-methoxybenzyl)-3,5-dinitrobenzamide?
The molecular formula of N-(4-methoxybenzyl)-3,5-dinitrobenzamide is C15H13N3O6.
What is the molecular weight of N-(4-methoxybenzyl)-3,5-dinitrobenzamide?
The molecular weight of N-(4-methoxybenzyl)-3,5-dinitrobenzamide is 331.08 g/mol.
Where can I buy N-(4-methoxybenzyl)-3,5-dinitrobenzamide?
You can request a quote for N-(4-methoxybenzyl)-3,5-dinitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-methoxybenzyl)-3,5-dinitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-methoxybenzyl)-3,5-dinitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.