3,3-Dimethyl-2-butanone 2-(2,4-dinitrophenyl)hydrazone
TL;DR: 3,3-Dimethyl-2-butanone 2-(2,4-dinitrophenyl)hydrazone (CAS 964-53-4) 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-(3,3-dimethylbutan-2-ylideneamino)-2,4-dinitroaniline
Also Known As: 2-Butanone, 3,3-dimethyl-, (2,4-dinitrophenyl)hydrazone, N-(3,3-dimethylbutan-2-ylideneamino)-2,4-dinitroaniline, 3,3-Dimethyl-2-butanone 2-(2,4-dinitrophenyl)hydrazone, 1-(2,4-dinitrophenyl)-2-(1,2,2-trimethylpropylidene)hydrazine, 1-(3,3-Dimethylbutan-2-ylidene)-2-(2,4-dinitrophenyl)hydrazine
| Molecular Formula | C12H16N4O4 |
|---|---|
| Molecular Weight | 280.12 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 280.11716 |
| Heavy Atoms | 20 |
| Complexity | 405.0 |
Chemical Identifiers
| CAS Number | 964-53-4 |
|---|---|
| SMILES | CC(=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C(C)(C)C |
| InChIKey | OMNJXFSXEYYSRY-UHFFFAOYSA-N |
Product Overview
3,3-Dimethyl-2-butanone 2-(2,4-dinitrophenyl)hydrazone (CAS 964-53-4), with molecular formula C12H16N4O4 and molecular weight 280.12 g/mol. IUPAC: N-(3,3-dimethylbutan-2-ylideneamino)-2,4-dinitroaniline.
Chemical Property Profile of 3,3-Dimethyl-2-butanone 2-(2,4-dinitrophenyl)hydrazone
Property Insights of 3,3-Dimethyl-2-butanone 2-(2,4-dinitrophenyl)hydrazone
The XLogP value of 4.5 indicates that 3,3-Dimethyl-2-butanone 2-(2,4-dinitrophenyl)hydrazone 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 3,3-Dimethyl-2-butanone 2-(2,4-dinitrophenyl)hydrazone. Following Lipinski's Rule of Five, 3,3-Dimethyl-2-butanone 2-(2,4-dinitrophenyl)hydrazone 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 3,3-Dimethyl-2-butanone 2-(2,4-dinitrophenyl)hydrazone?
The CAS number of 3,3-Dimethyl-2-butanone 2-(2,4-dinitrophenyl)hydrazone is 964-53-4.
What is the molecular formula of 3,3-Dimethyl-2-butanone 2-(2,4-dinitrophenyl)hydrazone?
The molecular formula of 3,3-Dimethyl-2-butanone 2-(2,4-dinitrophenyl)hydrazone is C12H16N4O4.
What is the molecular weight of 3,3-Dimethyl-2-butanone 2-(2,4-dinitrophenyl)hydrazone?
The molecular weight of 3,3-Dimethyl-2-butanone 2-(2,4-dinitrophenyl)hydrazone is 280.12 g/mol.
Where can I buy 3,3-Dimethyl-2-butanone 2-(2,4-dinitrophenyl)hydrazone?
You can request a quote for 3,3-Dimethyl-2-butanone 2-(2,4-dinitrophenyl)hydrazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-Dimethyl-2-butanone 2-(2,4-dinitrophenyl)hydrazone?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Dimethyl-2-butanone 2-(2,4-dinitrophenyl)hydrazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.