2,4-dinitro-N-(4-phenylbut-3-en-2-ylideneamino)aniline
TL;DR: 2,4-dinitro-N-(4-phenylbut-3-en-2-ylideneamino)aniline (CAS 976-25-0) is a chemical compound with molecular formula C16H14N4O4 and molecular weight 326.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dinitro-N-(4-phenylbut-3-en-2-ylideneamino)aniline
Also Known As: 2,4-dinitro-N-(4-phenylbut-3-en-2-ylideneamino)aniline, N-(2,4-Dinitrophenyl)-4-phenyl-3-butene-2-one hydrazone
| Molecular Formula | C16H14N4O4 |
|---|---|
| Molecular Weight | 326.10 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 326.1015 |
| Heavy Atoms | 24 |
| Complexity | 503.0 |
Chemical Identifiers
| CAS Number | 976-25-0 |
|---|---|
| SMILES | CC(=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C=CC2=CC=CC=C2 |
| InChIKey | IBKAGWRDYUUHDR-UHFFFAOYSA-N |
Product Overview
2,4-dinitro-N-(4-phenylbut-3-en-2-ylideneamino)aniline (CAS 976-25-0), with molecular formula C16H14N4O4 and molecular weight 326.10 g/mol. IUPAC: 2,4-dinitro-N-(4-phenylbut-3-en-2-ylideneamino)aniline.
Chemical Property Profile of 2,4-dinitro-N-(4-phenylbut-3-en-2-ylideneamino)aniline
Property Insights of 2,4-dinitro-N-(4-phenylbut-3-en-2-ylideneamino)aniline
The XLogP value of 5.1 indicates that 2,4-dinitro-N-(4-phenylbut-3-en-2-ylideneamino)aniline 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 2,4-dinitro-N-(4-phenylbut-3-en-2-ylideneamino)aniline. Following Lipinski's Rule of Five, 2,4-dinitro-N-(4-phenylbut-3-en-2-ylideneamino)aniline 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 2,4-dinitro-N-(4-phenylbut-3-en-2-ylideneamino)aniline?
The CAS number of 2,4-dinitro-N-(4-phenylbut-3-en-2-ylideneamino)aniline is 976-25-0.
What is the molecular formula of 2,4-dinitro-N-(4-phenylbut-3-en-2-ylideneamino)aniline?
The molecular formula of 2,4-dinitro-N-(4-phenylbut-3-en-2-ylideneamino)aniline is C16H14N4O4.
What is the molecular weight of 2,4-dinitro-N-(4-phenylbut-3-en-2-ylideneamino)aniline?
The molecular weight of 2,4-dinitro-N-(4-phenylbut-3-en-2-ylideneamino)aniline is 326.10 g/mol.
Where can I buy 2,4-dinitro-N-(4-phenylbut-3-en-2-ylideneamino)aniline?
You can request a quote for 2,4-dinitro-N-(4-phenylbut-3-en-2-ylideneamino)aniline 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-(4-phenylbut-3-en-2-ylideneamino)aniline?
Yes, KEHONG BIO provides custom synthesis services for 2,4-dinitro-N-(4-phenylbut-3-en-2-ylideneamino)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.