![N-[(E)-3-methylbut-3-en-2-ylideneamino]-2,4-dinitroaniline structure](/static/products/51-/51-16-1.png)
N-[(E)-3-methylbut-3-en-2-ylideneamino]-2,4-dinitroaniline
TL;DR: N-[(E)-3-methylbut-3-en-2-ylideneamino]-2,4-dinitroaniline (CAS 51-16-1) is a chemical compound with molecular formula C11H12N4O4 and molecular weight 264.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-3-methylbut-3-en-2-ylideneamino]-2,4-dinitroaniline
Also Known As: KST-1B4637, 1-(2,4-dinitrophenyl)-2-(3-methylbut-3-en-2-ylidene)hydrazine, 2,4-dinitrophenylhydrazone 3-methyl-3-buten-2-one, 3-methyl-but-3-en-2-one-(2,4-dinitro-phenylhydrazone)
| Molecular Formula | C11H12N4O4 |
|---|---|
| Molecular Weight | 264.09 g/mol |
| LogP | 2.8669 |
| Topological Polar Surface Area | 110.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 264.08585 |
| Heavy Atoms | 19 |
| Complexity | 580.058 |
Chemical Identifiers
| CAS Number | 51-16-1 |
|---|---|
| SMILES | CC(=C)/C(=N/NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])/C |
Product Overview
N-[(E)-3-methylbut-3-en-2-ylideneamino]-2,4-dinitroaniline (CAS 51-16-1), with molecular formula C11H12N4O4 and molecular weight 264.09 g/mol. IUPAC: N-[(E)-3-methylbut-3-en-2-ylideneamino]-2,4-dinitroaniline.
Chemical Property Profile of N-[(E)-3-methylbut-3-en-2-ylideneamino]-2,4-dinitroaniline
Property Insights of N-[(E)-3-methylbut-3-en-2-ylideneamino]-2,4-dinitroaniline
The XLogP value of 2.8669 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(E)-3-methylbut-3-en-2-ylideneamino]-2,4-dinitroaniline. The TPSA of 110.67 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(E)-3-methylbut-3-en-2-ylideneamino]-2,4-dinitroaniline. Following Lipinski's Rule of Five, N-[(E)-3-methylbut-3-en-2-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)-3-methylbut-3-en-2-ylideneamino]-2,4-dinitroaniline?
The CAS number of N-[(E)-3-methylbut-3-en-2-ylideneamino]-2,4-dinitroaniline is 51-16-1.
What is the molecular formula of N-[(E)-3-methylbut-3-en-2-ylideneamino]-2,4-dinitroaniline?
The molecular formula of N-[(E)-3-methylbut-3-en-2-ylideneamino]-2,4-dinitroaniline is C11H12N4O4.
What is the molecular weight of N-[(E)-3-methylbut-3-en-2-ylideneamino]-2,4-dinitroaniline?
The molecular weight of N-[(E)-3-methylbut-3-en-2-ylideneamino]-2,4-dinitroaniline is 264.09 g/mol.
Where can I buy N-[(E)-3-methylbut-3-en-2-ylideneamino]-2,4-dinitroaniline?
You can request a quote for N-[(E)-3-methylbut-3-en-2-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)-3-methylbut-3-en-2-ylideneamino]-2,4-dinitroaniline?
Yes, KEHONG BIO provides custom synthesis services for N-[(E)-3-methylbut-3-en-2-ylideneamino]-2,4-dinitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.