N-Octadecyl m-nitrobenzamide
TL;DR: N-Octadecyl m-nitrobenzamide (CAS 109799-65-7) is a chemical compound with molecular formula C25H42N2O3 and molecular weight 418.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitro-N-octadecylbenzamide
Also Known As: 3-Nitro-n-octadecylbenzamide, N-Octadecyl m-nitrobenzamide, m-Nitro-N-octadecylbenzamide, N-Octadecyl-m-nitrobenzamide, Benzamide, 3-nitro-N-octadecyl-
| Molecular Formula | C25H42N2O3 |
|---|---|
| Molecular Weight | 418.32 g/mol |
| LogP | 8.7 |
| Topological Polar Surface Area | 74.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 18 |
| Exact Mass | 418.31955 |
| Heavy Atoms | 30 |
| Complexity | 437.0 |
Chemical Identifiers
| CAS Number | 109799-65-7 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCNC(=O)C1=CC(=CC=C1)[N+](=O)[O-] |
| InChIKey | MBGMGVISROGRGY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Octadecyl m-nitrobenzamide (CAS 109799-65-7), with molecular formula C25H42N2O3 and molecular weight 418.32 g/mol. IUPAC: 3-nitro-N-octadecylbenzamide.
Chemical Property Profile of N-Octadecyl m-nitrobenzamide
Property Insights of N-Octadecyl m-nitrobenzamide
The XLogP value of 8.7 indicates that N-Octadecyl m-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.9 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Octadecyl m-nitrobenzamide. Following Lipinski's Rule of Five, N-Octadecyl m-nitrobenzamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-Octadecyl m-nitrobenzamide?
The CAS number of N-Octadecyl m-nitrobenzamide is 109799-65-7.
What is the molecular formula of N-Octadecyl m-nitrobenzamide?
The molecular formula of N-Octadecyl m-nitrobenzamide is C25H42N2O3.
What is the molecular weight of N-Octadecyl m-nitrobenzamide?
The molecular weight of N-Octadecyl m-nitrobenzamide is 418.32 g/mol.
Where can I buy N-Octadecyl m-nitrobenzamide?
You can request a quote for N-Octadecyl m-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Octadecyl m-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-Octadecyl m-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.