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N-[[cyclobutyl(phenyl)methylidene]amino]-2,4-dinitroaniline
TL;DR: N-[[cyclobutyl(phenyl)methylidene]amino]-2,4-dinitroaniline (CAS 5231-85-6) is a chemical compound with molecular formula C17H16N4O4 and molecular weight 340.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[cyclobutyl(phenyl)methylidene]amino]-2,4-dinitroaniline
Also Known As: N-[[cyclobutyl(phenyl)methylidene]amino]-2,4-dinitroaniline, 1-[Cyclobutyl(phenyl)methylidene]-2-(2,4-dinitrophenyl)hydrazine, N-[(CYCLOBUTYL-PHENYL-METHYLIDENE)AMINO]-2,4-DINITRO-ANILINE
| Molecular Formula | C17H16N4O4 |
|---|---|
| Molecular Weight | 340.12 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 340.11716 |
| Heavy Atoms | 25 |
| Complexity | 518.0 |
Chemical Identifiers
| CAS Number | 5231-85-6 |
|---|---|
| SMILES | C1CC(C1)C(=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C3=CC=CC=C3 |
| InChIKey | OBSPPIQPIWIHDJ-UHFFFAOYSA-N |
Product Overview
N-[[cyclobutyl(phenyl)methylidene]amino]-2,4-dinitroaniline (CAS 5231-85-6), with molecular formula C17H16N4O4 and molecular weight 340.12 g/mol. IUPAC: N-[[cyclobutyl(phenyl)methylidene]amino]-2,4-dinitroaniline.
Chemical Property Profile of N-[[cyclobutyl(phenyl)methylidene]amino]-2,4-dinitroaniline
Property Insights of N-[[cyclobutyl(phenyl)methylidene]amino]-2,4-dinitroaniline
The XLogP value of 5.7 indicates that N-[[cyclobutyl(phenyl)methylidene]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-[[cyclobutyl(phenyl)methylidene]amino]-2,4-dinitroaniline. Following Lipinski's Rule of Five, N-[[cyclobutyl(phenyl)methylidene]amino]-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-[[cyclobutyl(phenyl)methylidene]amino]-2,4-dinitroaniline?
The CAS number of N-[[cyclobutyl(phenyl)methylidene]amino]-2,4-dinitroaniline is 5231-85-6.
What is the molecular formula of N-[[cyclobutyl(phenyl)methylidene]amino]-2,4-dinitroaniline?
The molecular formula of N-[[cyclobutyl(phenyl)methylidene]amino]-2,4-dinitroaniline is C17H16N4O4.
What is the molecular weight of N-[[cyclobutyl(phenyl)methylidene]amino]-2,4-dinitroaniline?
The molecular weight of N-[[cyclobutyl(phenyl)methylidene]amino]-2,4-dinitroaniline is 340.12 g/mol.
Where can I buy N-[[cyclobutyl(phenyl)methylidene]amino]-2,4-dinitroaniline?
You can request a quote for N-[[cyclobutyl(phenyl)methylidene]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-[[cyclobutyl(phenyl)methylidene]amino]-2,4-dinitroaniline?
Yes, KEHONG BIO provides custom synthesis services for N-[[cyclobutyl(phenyl)methylidene]amino]-2,4-dinitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.