(Z)-N-(4-bromobenzylidene)-4-methylaniline oxide
TL;DR: (Z)-N-(4-bromobenzylidene)-4-methylaniline oxide (CAS 691376-79-1) is a chemical compound with molecular formula C14H12BrNO and molecular weight 289.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromophenyl)-N-(4-methylphenyl)methanimine oxide
Also Known As: (Z)-N-(4-bromobenzylidene)-4-methylaniline oxide, (NZ)-N-[(4-BROMOPHENYL)METHYLIDENE]-4-METHYL-N-OXIDOANILINIUM, 1-(4-Bromophenyl)-N-(p-tolyl)methanimine oxide, F1593-0019, 1-(4-bromophenyl)-N-(4-methylphenyl)methanimine oxide
| Molecular Formula | C14H12BrNO |
|---|---|
| Molecular Weight | 289.01 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 28.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 289.01022 |
| Heavy Atoms | 17 |
| Complexity | 263.0 |
Chemical Identifiers
| CAS Number | 691376-79-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)/[N+](=C/C2=CC=C(C=C2)Br)/[O-] |
| InChIKey | ZQNMYUGXPZWALV-YBEGLDIGSA-N |
Product Overview
(Z)-N-(4-bromobenzylidene)-4-methylaniline oxide (CAS 691376-79-1), with molecular formula C14H12BrNO and molecular weight 289.01 g/mol. IUPAC: 1-(4-bromophenyl)-N-(4-methylphenyl)methanimine oxide.
Chemical Property Profile of (Z)-N-(4-bromobenzylidene)-4-methylaniline oxide
Property Insights of (Z)-N-(4-bromobenzylidene)-4-methylaniline oxide
The XLogP value of 3.1 indicates that (Z)-N-(4-bromobenzylidene)-4-methylaniline oxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.8 Ų, (Z)-N-(4-bromobenzylidene)-4-methylaniline oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Z)-N-(4-bromobenzylidene)-4-methylaniline oxide has 0 hydrogen bond donor(s) and 1 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 (Z)-N-(4-bromobenzylidene)-4-methylaniline oxide?
The CAS number of (Z)-N-(4-bromobenzylidene)-4-methylaniline oxide is 691376-79-1.
What is the molecular formula of (Z)-N-(4-bromobenzylidene)-4-methylaniline oxide?
The molecular formula of (Z)-N-(4-bromobenzylidene)-4-methylaniline oxide is C14H12BrNO.
What is the molecular weight of (Z)-N-(4-bromobenzylidene)-4-methylaniline oxide?
The molecular weight of (Z)-N-(4-bromobenzylidene)-4-methylaniline oxide is 289.01 g/mol.
Where can I buy (Z)-N-(4-bromobenzylidene)-4-methylaniline oxide?
You can request a quote for (Z)-N-(4-bromobenzylidene)-4-methylaniline oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-N-(4-bromobenzylidene)-4-methylaniline oxide?
Yes, KEHONG BIO provides custom synthesis services for (Z)-N-(4-bromobenzylidene)-4-methylaniline oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.