4-Iodo-N-(3-nitrobenzylidene)aniline
TL;DR: 4-Iodo-N-(3-nitrobenzylidene)aniline (CAS 3495-26-9) is a chemical compound with molecular formula C13H9IN2O2 and molecular weight 351.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-iodophenyl)-1-(3-nitrophenyl)methanimine
Also Known As: 4-Iodo-N-(3-nitrobenzylidene)aniline, N-(4-iodophenyl)-1-(3-nitrophenyl)methanimine, p-Iodo-N-(m-nitrobenzylidene)aniline, N-(3-Nitrobenzylidene)-4-iodoaniline, (4-iodophenyl)(3-nitrobenzylidene)amine
| Molecular Formula | C13H9IN2O2 |
|---|---|
| Molecular Weight | 351.97 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 351.9709 |
| Heavy Atoms | 18 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 3495-26-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C=NC2=CC=C(C=C2)I |
| InChIKey | LKCMREMLEOKTFK-UHFFFAOYSA-N |
Product Overview
4-Iodo-N-(3-nitrobenzylidene)aniline (CAS 3495-26-9), with molecular formula C13H9IN2O2 and molecular weight 351.97 g/mol. IUPAC: N-(4-iodophenyl)-1-(3-nitrophenyl)methanimine.
Chemical Property Profile of 4-Iodo-N-(3-nitrobenzylidene)aniline
Property Insights of 4-Iodo-N-(3-nitrobenzylidene)aniline
The XLogP value of 3.7 indicates that 4-Iodo-N-(3-nitrobenzylidene)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.2 Ų, 4-Iodo-N-(3-nitrobenzylidene)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Iodo-N-(3-nitrobenzylidene)aniline has 0 hydrogen bond donor(s) and 3 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 4-Iodo-N-(3-nitrobenzylidene)aniline?
The CAS number of 4-Iodo-N-(3-nitrobenzylidene)aniline is 3495-26-9.
What is the molecular formula of 4-Iodo-N-(3-nitrobenzylidene)aniline?
The molecular formula of 4-Iodo-N-(3-nitrobenzylidene)aniline is C13H9IN2O2.
What is the molecular weight of 4-Iodo-N-(3-nitrobenzylidene)aniline?
The molecular weight of 4-Iodo-N-(3-nitrobenzylidene)aniline is 351.97 g/mol.
Where can I buy 4-Iodo-N-(3-nitrobenzylidene)aniline?
You can request a quote for 4-Iodo-N-(3-nitrobenzylidene)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Iodo-N-(3-nitrobenzylidene)aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-Iodo-N-(3-nitrobenzylidene)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.