2,4-dinitro-N-octylaniline
TL;DR: 2,4-dinitro-N-octylaniline (CAS 54718-66-0) is a chemical compound with molecular formula C14H21N3O4 and molecular weight 295.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dinitro-N-octylaniline
Also Known As: 2,4-dinitro-N-octylaniline, N-(2,4-dinitrophenyl)octan-1-amine
| Molecular Formula | C14H21N3O4 |
|---|---|
| Molecular Weight | 295.15 g/mol |
| LogP | 4.2754 |
| Topological Polar Surface Area | 98.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 295.1532 |
| Heavy Atoms | 21 |
| Complexity | 491.1075 |
Chemical Identifiers
| CAS Number | 54718-66-0 |
|---|---|
| SMILES | CCCCCCCCNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
2,4-dinitro-N-octylaniline (CAS 54718-66-0), with molecular formula C14H21N3O4 and molecular weight 295.15 g/mol. IUPAC: 2,4-dinitro-N-octylaniline.
Chemical Property Profile of 2,4-dinitro-N-octylaniline
Property Insights of 2,4-dinitro-N-octylaniline
The XLogP value of 4.2754 indicates that 2,4-dinitro-N-octylaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-dinitro-N-octylaniline. Following Lipinski's Rule of Five, 2,4-dinitro-N-octylaniline has 1 hydrogen bond donor(s) and 5 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 2,4-dinitro-N-octylaniline?
The CAS number of 2,4-dinitro-N-octylaniline is 54718-66-0.
What is the molecular formula of 2,4-dinitro-N-octylaniline?
The molecular formula of 2,4-dinitro-N-octylaniline is C14H21N3O4.
What is the molecular weight of 2,4-dinitro-N-octylaniline?
The molecular weight of 2,4-dinitro-N-octylaniline is 295.15 g/mol.
Where can I buy 2,4-dinitro-N-octylaniline?
You can request a quote for 2,4-dinitro-N-octylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-dinitro-N-octylaniline?
Yes, KEHONG BIO provides custom synthesis services for 2,4-dinitro-N-octylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.