![N-[(3,3-dimethyl-4-phenylbutylidene)amino]-2,4-dinitroaniline structure](/static/products/1354/13540-44-8.webp)
N-[(3,3-dimethyl-4-phenylbutylidene)amino]-2,4-dinitroaniline
TL;DR: N-[(3,3-dimethyl-4-phenylbutylidene)amino]-2,4-dinitroaniline (CAS 13540-44-8) is a chemical compound with molecular formula C18H20N4O4 and molecular weight 356.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3,3-dimethyl-4-phenylbutylidene)amino]-2,4-dinitroaniline
Also Known As: N-[(3,3-dimethyl-4-phenylbutylidene)amino]-2,4-dinitroaniline, 3.3-Dimethyl-4-phenyl-butanal-2.4-dinitro-phenylhydrazon, N-[(3,3-dimethyl-4-phenylbutylidene)amino]-2,4-dinitroanilin, 1-(3,3-Dimethyl-4-phenylbutylidene)-2-(2,4-dinitrophenyl)hydrazine, N-[(3,3-DIMETHYL-4-PHENYL-BUTYLIDENE)AMINO]-2,4-DINITRO-ANILINE
| Molecular Formula | C18H20N4O4 |
|---|---|
| Molecular Weight | 356.15 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 356.14847 |
| Heavy Atoms | 26 |
| Complexity | 506.0 |
Chemical Identifiers
| CAS Number | 13540-44-8 |
|---|---|
| SMILES | CC(C)(CC=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])CC2=CC=CC=C2 |
| InChIKey | GVGGOJFIQNEUOY-UHFFFAOYSA-N |
Product Overview
N-[(3,3-dimethyl-4-phenylbutylidene)amino]-2,4-dinitroaniline (CAS 13540-44-8), with molecular formula C18H20N4O4 and molecular weight 356.15 g/mol. IUPAC: N-[(3,3-dimethyl-4-phenylbutylidene)amino]-2,4-dinitroaniline.
Chemical Property Profile of N-[(3,3-dimethyl-4-phenylbutylidene)amino]-2,4-dinitroaniline
Property Insights of N-[(3,3-dimethyl-4-phenylbutylidene)amino]-2,4-dinitroaniline
The XLogP value of 3.9 indicates that N-[(3,3-dimethyl-4-phenylbutylidene)amino]-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-[(3,3-dimethyl-4-phenylbutylidene)amino]-2,4-dinitroaniline. Following Lipinski's Rule of Five, N-[(3,3-dimethyl-4-phenylbutylidene)amino]-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-[(3,3-dimethyl-4-phenylbutylidene)amino]-2,4-dinitroaniline?
The CAS number of N-[(3,3-dimethyl-4-phenylbutylidene)amino]-2,4-dinitroaniline is 13540-44-8.
What is the molecular formula of N-[(3,3-dimethyl-4-phenylbutylidene)amino]-2,4-dinitroaniline?
The molecular formula of N-[(3,3-dimethyl-4-phenylbutylidene)amino]-2,4-dinitroaniline is C18H20N4O4.
What is the molecular weight of N-[(3,3-dimethyl-4-phenylbutylidene)amino]-2,4-dinitroaniline?
The molecular weight of N-[(3,3-dimethyl-4-phenylbutylidene)amino]-2,4-dinitroaniline is 356.15 g/mol.
Where can I buy N-[(3,3-dimethyl-4-phenylbutylidene)amino]-2,4-dinitroaniline?
You can request a quote for N-[(3,3-dimethyl-4-phenylbutylidene)amino]-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-[(3,3-dimethyl-4-phenylbutylidene)amino]-2,4-dinitroaniline?
Yes, KEHONG BIO provides custom synthesis services for N-[(3,3-dimethyl-4-phenylbutylidene)amino]-2,4-dinitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.