N-cyclooctyl-3-methyl-4-nitrobenzamide
TL;DR: N-cyclooctyl-3-methyl-4-nitrobenzamide (CAS 431998-05-9) is a chemical compound with molecular formula C16H22N2O3 and molecular weight 290.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-cyclooctyl-3-methyl-4-nitrobenzamide
Also Known As: N-cyclooctyl-3-methyl-4-nitrobenzamide, N-cyclooctyl-4-nitro-3-methylbenzamide, N-cyclooctyl(3-methyl-4-nitrophenyl)carboxamide, N~1~-CYCLOOCTYL-3-METHYL-4-NITROBENZAMIDE
| Molecular Formula | C16H22N2O3 |
|---|---|
| Molecular Weight | 290.16 g/mol |
| LogP | 3.74592 |
| Topological Polar Surface Area | 72.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 290.16306 |
| Heavy Atoms | 21 |
| Complexity | 520.2534 |
Chemical Identifiers
| CAS Number | 431998-05-9 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C(=O)NC2CCCCCCC2)[N+](=O)[O-] |
Product Overview
N-cyclooctyl-3-methyl-4-nitrobenzamide (CAS 431998-05-9), with molecular formula C16H22N2O3 and molecular weight 290.16 g/mol. IUPAC: N-cyclooctyl-3-methyl-4-nitrobenzamide.
Chemical Property Profile of N-cyclooctyl-3-methyl-4-nitrobenzamide
Property Insights of N-cyclooctyl-3-methyl-4-nitrobenzamide
The XLogP value of 3.74592 indicates that N-cyclooctyl-3-methyl-4-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.24 Ų falls within the moderate polarity range, balancing permeability and solubility for N-cyclooctyl-3-methyl-4-nitrobenzamide. Following Lipinski's Rule of Five, N-cyclooctyl-3-methyl-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-cyclooctyl-3-methyl-4-nitrobenzamide?
The CAS number of N-cyclooctyl-3-methyl-4-nitrobenzamide is 431998-05-9.
What is the molecular formula of N-cyclooctyl-3-methyl-4-nitrobenzamide?
The molecular formula of N-cyclooctyl-3-methyl-4-nitrobenzamide is C16H22N2O3.
What is the molecular weight of N-cyclooctyl-3-methyl-4-nitrobenzamide?
The molecular weight of N-cyclooctyl-3-methyl-4-nitrobenzamide is 290.16 g/mol.
Where can I buy N-cyclooctyl-3-methyl-4-nitrobenzamide?
You can request a quote for N-cyclooctyl-3-methyl-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-cyclooctyl-3-methyl-4-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-cyclooctyl-3-methyl-4-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.