N-(2,2-diethylbutylideneamino)-2,4-dinitroaniline
TL;DR: N-(2,2-diethylbutylideneamino)-2,4-dinitroaniline (CAS 7498-77-3) is a chemical compound with molecular formula C14H20N4O4 and molecular weight 308.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,2-diethylbutylideneamino)-2,4-dinitroaniline
Also Known As: N-(2,2-diethylbutylideneamino)-2,4-dinitroaniline, N-[(E)-2,2-diethylbutylideneamino]-2,4-dinitroaniline
| Molecular Formula | C14H20N4O4 |
|---|---|
| Molecular Weight | 308.15 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 308.14847 |
| Heavy Atoms | 22 |
| Complexity | 404.0 |
Chemical Identifiers
| CAS Number | 7498-77-3 |
|---|---|
| SMILES | CCC(CC)(CC)C=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | AQSLAENKMRDRNX-UHFFFAOYSA-N |
Product Overview
N-(2,2-diethylbutylideneamino)-2,4-dinitroaniline (CAS 7498-77-3), with molecular formula C14H20N4O4 and molecular weight 308.15 g/mol. IUPAC: N-(2,2-diethylbutylideneamino)-2,4-dinitroaniline.
Chemical Property Profile of N-(2,2-diethylbutylideneamino)-2,4-dinitroaniline
Property Insights of N-(2,2-diethylbutylideneamino)-2,4-dinitroaniline
The XLogP value of 3.3 indicates that N-(2,2-diethylbutylideneamino)-2,4-dinitroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2,2-diethylbutylideneamino)-2,4-dinitroaniline. Following Lipinski's Rule of Five, N-(2,2-diethylbutylideneamino)-2,4-dinitroaniline 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-(2,2-diethylbutylideneamino)-2,4-dinitroaniline?
The CAS number of N-(2,2-diethylbutylideneamino)-2,4-dinitroaniline is 7498-77-3.
What is the molecular formula of N-(2,2-diethylbutylideneamino)-2,4-dinitroaniline?
The molecular formula of N-(2,2-diethylbutylideneamino)-2,4-dinitroaniline is C14H20N4O4.
What is the molecular weight of N-(2,2-diethylbutylideneamino)-2,4-dinitroaniline?
The molecular weight of N-(2,2-diethylbutylideneamino)-2,4-dinitroaniline is 308.15 g/mol.
Where can I buy N-(2,2-diethylbutylideneamino)-2,4-dinitroaniline?
You can request a quote for N-(2,2-diethylbutylideneamino)-2,4-dinitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2,2-diethylbutylideneamino)-2,4-dinitroaniline?
Yes, KEHONG BIO provides custom synthesis services for N-(2,2-diethylbutylideneamino)-2,4-dinitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.