2-(3-nitrobenzoyl)-2'-(2-(4-tert-octylphenoxy)ethoxy)acetanilide
TL;DR: 2-(3-nitrobenzoyl)-2'-(2-(4-tert-octylphenoxy)ethoxy)acetanilide (CAS 124514-04-1) is a chemical compound with molecular formula C31H36N2O6 and molecular weight 532.2573 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(3-nitrophenyl)-3-oxo-N-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]phenyl]propanamide
Also Known As: 2-(3-nitrobenzoyl)-2'-(2-(4-tert-octylphenoxy)ethoxy)acetanilide, 3-(3-nitrophenyl)-3-oxo-N-(2-{2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy}phenyl)propanamide, 3-(3-nitrophenyl)-3-oxo-N-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]phenyl]propanamide
Technical Specifications
| Molecular Formula | C31H36N2O6 |
| Molecular Weight | 532.2573 g/mol |
| XLogP | 8.0 |
| Topological Polar Surface Area (TPSA) | 110.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 532.2573 Da |
| Heavy Atoms | 39 |
| Complexity | 809.0 |
| SMILES | CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOC2=CC=CC=C2NC(=O)CC(=O)C3=CC(=CC=C3)[N+](=O)[O-] |
| InChIKey | CKWVQSUTCMHKHE-UHFFFAOYSA-N |
Chemical Property Profile of 2-(3-nitrobenzoyl)-2'-(2-(4-tert-octylphenoxy)ethoxy)acetanilide
Property Insights of 2-(3-nitrobenzoyl)-2'-(2-(4-tert-octylphenoxy)ethoxy)acetanilide
The XLogP value of 8.0 indicates that 2-(3-nitrobenzoyl)-2'-(2-(4-tert-octylphenoxy)ethoxy)acetanilide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-nitrobenzoyl)-2'-(2-(4-tert-octylphenoxy)ethoxy)acetanilide. Following Lipinski's Rule of Five, 2-(3-nitrobenzoyl)-2'-(2-(4-tert-octylphenoxy)ethoxy)acetanilide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 2-(3-nitrobenzoyl)-2'-(2-(4-tert-octylphenoxy)ethoxy)acetanilide?
The CAS number of 2-(3-nitrobenzoyl)-2'-(2-(4-tert-octylphenoxy)ethoxy)acetanilide is 124514-04-1.
What is the molecular formula of 2-(3-nitrobenzoyl)-2'-(2-(4-tert-octylphenoxy)ethoxy)acetanilide?
The molecular formula of 2-(3-nitrobenzoyl)-2'-(2-(4-tert-octylphenoxy)ethoxy)acetanilide is C31H36N2O6.
What is the molecular weight of 2-(3-nitrobenzoyl)-2'-(2-(4-tert-octylphenoxy)ethoxy)acetanilide?
The molecular weight of 2-(3-nitrobenzoyl)-2'-(2-(4-tert-octylphenoxy)ethoxy)acetanilide is 532.2573 g/mol.
Where can I buy 2-(3-nitrobenzoyl)-2'-(2-(4-tert-octylphenoxy)ethoxy)acetanilide?
You can request a quote for 2-(3-nitrobenzoyl)-2'-(2-(4-tert-octylphenoxy)ethoxy)acetanilide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(3-nitrobenzoyl)-2'-(2-(4-tert-octylphenoxy)ethoxy)acetanilide?
Yes, CoreyChem provides custom synthesis services for 2-(3-nitrobenzoyl)-2'-(2-(4-tert-octylphenoxy)ethoxy)acetanilide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.