![N-[4-(cyclohexen-1-yl)but-3-yn-2-ylideneamino]-2,4-dinitroaniline structure](/static/products/7498/7498-91-1.webp)
N-[4-(cyclohexen-1-yl)but-3-yn-2-ylideneamino]-2,4-dinitroaniline
TL;DR: N-[4-(cyclohexen-1-yl)but-3-yn-2-ylideneamino]-2,4-dinitroaniline (CAS 7498-91-1) is a chemical compound with molecular formula C16H16N4O4 and molecular weight 328.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(cyclohexen-1-yl)but-3-yn-2-ylideneamino]-2,4-dinitroaniline
Also Known As: 4-cyclohex-1-enyl-benzoic acid, N-[(E)-4-(cyclohexen-1-yl)but-3-yn-2-ylideneamino]-2,4-dinit, N-[4-(cyclohexen-1-yl)but-3-yn-2-ylideneamino]-2,4-dinitroaniline, N-[(E)-4-(cyclohexen-1-yl)but-3-yn-2-ylideneamino]-2,4-dinitroaniline, N-[4-(1-CYCLOHEXENYL)BUT-3-YN-2-YLIDENEAMINO]-2,4-DINITRO-ANILINE
| Molecular Formula | C16H16N4O4 |
|---|---|
| Molecular Weight | 328.12 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 328.11716 |
| Heavy Atoms | 24 |
| Complexity | 617.0 |
Chemical Identifiers
| CAS Number | 7498-91-1 |
|---|---|
| SMILES | CC(=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C#CC2=CCCCC2 |
| InChIKey | YWUOEQGTJNOVPT-UHFFFAOYSA-N |
Product Overview
N-[4-(cyclohexen-1-yl)but-3-yn-2-ylideneamino]-2,4-dinitroaniline (CAS 7498-91-1), with molecular formula C16H16N4O4 and molecular weight 328.12 g/mol. IUPAC: N-[4-(cyclohexen-1-yl)but-3-yn-2-ylideneamino]-2,4-dinitroaniline.
Chemical Property Profile of N-[4-(cyclohexen-1-yl)but-3-yn-2-ylideneamino]-2,4-dinitroaniline
Property Insights of N-[4-(cyclohexen-1-yl)but-3-yn-2-ylideneamino]-2,4-dinitroaniline
The XLogP value of 5.4 indicates that N-[4-(cyclohexen-1-yl)but-3-yn-2-ylideneamino]-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-[4-(cyclohexen-1-yl)but-3-yn-2-ylideneamino]-2,4-dinitroaniline. Following Lipinski's Rule of Five, N-[4-(cyclohexen-1-yl)but-3-yn-2-ylideneamino]-2,4-dinitroaniline has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[4-(cyclohexen-1-yl)but-3-yn-2-ylideneamino]-2,4-dinitroaniline?
The CAS number of N-[4-(cyclohexen-1-yl)but-3-yn-2-ylideneamino]-2,4-dinitroaniline is 7498-91-1.
What is the molecular formula of N-[4-(cyclohexen-1-yl)but-3-yn-2-ylideneamino]-2,4-dinitroaniline?
The molecular formula of N-[4-(cyclohexen-1-yl)but-3-yn-2-ylideneamino]-2,4-dinitroaniline is C16H16N4O4.
What is the molecular weight of N-[4-(cyclohexen-1-yl)but-3-yn-2-ylideneamino]-2,4-dinitroaniline?
The molecular weight of N-[4-(cyclohexen-1-yl)but-3-yn-2-ylideneamino]-2,4-dinitroaniline is 328.12 g/mol.
Where can I buy N-[4-(cyclohexen-1-yl)but-3-yn-2-ylideneamino]-2,4-dinitroaniline?
You can request a quote for N-[4-(cyclohexen-1-yl)but-3-yn-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-[4-(cyclohexen-1-yl)but-3-yn-2-ylideneamino]-2,4-dinitroaniline?
Yes, KEHONG BIO provides custom synthesis services for N-[4-(cyclohexen-1-yl)but-3-yn-2-ylideneamino]-2,4-dinitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.