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N-[(4-butoxyphenyl)methylideneamino]-3-nitroaniline
TL;DR: N-[(4-butoxyphenyl)methylideneamino]-3-nitroaniline (CAS 5717-59-9) is a chemical compound with molecular formula C17H19N3O3 and molecular weight 313.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-butoxyphenyl)methylideneamino]-3-nitroaniline
Also Known As: N-[(4-butoxyphenyl)methylideneamino]-3-nitroaniline, N-[(4-butoxyphenyl)methylideneamino]-3-nitro-aniline, 1-[(4-Butoxyphenyl)methylidene]-2-(3-nitrophenyl)hydrazine
| Molecular Formula | C17H19N3O3 |
|---|---|
| Molecular Weight | 313.14 g/mol |
| LogP | 4.2197 |
| Topological Polar Surface Area | 76.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 313.14264 |
| Heavy Atoms | 23 |
| Complexity | 669.03876 |
Chemical Identifiers
| CAS Number | 5717-59-9 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)C=NNC2=CC(=CC=C2)[N+](=O)[O-] |
Product Overview
N-[(4-butoxyphenyl)methylideneamino]-3-nitroaniline (CAS 5717-59-9), with molecular formula C17H19N3O3 and molecular weight 313.14 g/mol. IUPAC: N-[(4-butoxyphenyl)methylideneamino]-3-nitroaniline.
Chemical Property Profile of N-[(4-butoxyphenyl)methylideneamino]-3-nitroaniline
Property Insights of N-[(4-butoxyphenyl)methylideneamino]-3-nitroaniline
The XLogP value of 4.2197 indicates that N-[(4-butoxyphenyl)methylideneamino]-3-nitroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.76 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(4-butoxyphenyl)methylideneamino]-3-nitroaniline. Following Lipinski's Rule of Five, N-[(4-butoxyphenyl)methylideneamino]-3-nitroaniline has 1 hydrogen bond donor(s) and 5 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-[(4-butoxyphenyl)methylideneamino]-3-nitroaniline?
The CAS number of N-[(4-butoxyphenyl)methylideneamino]-3-nitroaniline is 5717-59-9.
What is the molecular formula of N-[(4-butoxyphenyl)methylideneamino]-3-nitroaniline?
The molecular formula of N-[(4-butoxyphenyl)methylideneamino]-3-nitroaniline is C17H19N3O3.
What is the molecular weight of N-[(4-butoxyphenyl)methylideneamino]-3-nitroaniline?
The molecular weight of N-[(4-butoxyphenyl)methylideneamino]-3-nitroaniline is 313.14 g/mol.
Where can I buy N-[(4-butoxyphenyl)methylideneamino]-3-nitroaniline?
You can request a quote for N-[(4-butoxyphenyl)methylideneamino]-3-nitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(4-butoxyphenyl)methylideneamino]-3-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for N-[(4-butoxyphenyl)methylideneamino]-3-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.