![N-[(E)-2-methylpentan-3-ylideneamino]-2,4-dinitroaniline structure](/static/products/241/2413-07-2.png)
N-[(E)-2-methylpentan-3-ylideneamino]-2,4-dinitroaniline
TL;DR: N-[(E)-2-methylpentan-3-ylideneamino]-2,4-dinitroaniline (CAS 2413-07-2) is a chemical compound with molecular formula C12H16N4O4 and molecular weight 280.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-2-methylpentan-3-ylideneamino]-2,4-dinitroaniline
Also Known As: 2-methyl-pentan-3-one-(2,4-dinitro-phenylhydrazone)
| Molecular Formula | C12H16N4O4 |
|---|---|
| Molecular Weight | 280.12 g/mol |
| LogP | 3.3369 |
| Topological Polar Surface Area | 110.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 280.11716 |
| Heavy Atoms | 20 |
| Complexity | 554.38837 |
Chemical Identifiers
| CAS Number | 2413-07-2 |
|---|---|
| SMILES | CC/C(=N\NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])/C(C)C |
Product Overview
N-[(E)-2-methylpentan-3-ylideneamino]-2,4-dinitroaniline (CAS 2413-07-2), with molecular formula C12H16N4O4 and molecular weight 280.12 g/mol. IUPAC: N-[(E)-2-methylpentan-3-ylideneamino]-2,4-dinitroaniline.
Chemical Property Profile of N-[(E)-2-methylpentan-3-ylideneamino]-2,4-dinitroaniline
Property Insights of N-[(E)-2-methylpentan-3-ylideneamino]-2,4-dinitroaniline
The XLogP value of 3.3369 indicates that N-[(E)-2-methylpentan-3-ylideneamino]-2,4-dinitroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.67 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(E)-2-methylpentan-3-ylideneamino]-2,4-dinitroaniline. Following Lipinski's Rule of Five, N-[(E)-2-methylpentan-3-ylideneamino]-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-[(E)-2-methylpentan-3-ylideneamino]-2,4-dinitroaniline?
The CAS number of N-[(E)-2-methylpentan-3-ylideneamino]-2,4-dinitroaniline is 2413-07-2.
What is the molecular formula of N-[(E)-2-methylpentan-3-ylideneamino]-2,4-dinitroaniline?
The molecular formula of N-[(E)-2-methylpentan-3-ylideneamino]-2,4-dinitroaniline is C12H16N4O4.
What is the molecular weight of N-[(E)-2-methylpentan-3-ylideneamino]-2,4-dinitroaniline?
The molecular weight of N-[(E)-2-methylpentan-3-ylideneamino]-2,4-dinitroaniline is 280.12 g/mol.
Where can I buy N-[(E)-2-methylpentan-3-ylideneamino]-2,4-dinitroaniline?
You can request a quote for N-[(E)-2-methylpentan-3-ylideneamino]-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-[(E)-2-methylpentan-3-ylideneamino]-2,4-dinitroaniline?
Yes, KEHONG BIO provides custom synthesis services for N-[(E)-2-methylpentan-3-ylideneamino]-2,4-dinitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.