N-(4-Bromobenzylidene)aniline
TL;DR: N-(4-Bromobenzylidene)aniline (CAS 1613-97-4) is a chemical compound with molecular formula C13H10BrN and molecular weight 259.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromophenyl)-N-phenylmethanimine
Also Known As: p-bromobenzylidene-phenyl-amine, N-(4-Bromobenzylidene)aniline, 1-(4-bromophenyl)-N-phenylmethanimine, N-(p-Bromobenzylidene)aniline, (E)-N-(4-Bromobenzylidene)aniline
| Molecular Formula | C13H10BrN |
|---|---|
| Molecular Weight | 259.00 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 12.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 258.99966 |
| Heavy Atoms | 15 |
| Complexity | 201.0 |
Chemical Identifiers
| CAS Number | 1613-97-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)N=CC2=CC=C(C=C2)Br |
| InChIKey | MJSLSMOBYCYMIM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(4-Bromobenzylidene)aniline (CAS 1613-97-4), with molecular formula C13H10BrN and molecular weight 259.00 g/mol. IUPAC: 1-(4-bromophenyl)-N-phenylmethanimine.
Chemical Property Profile of N-(4-Bromobenzylidene)aniline
Property Insights of N-(4-Bromobenzylidene)aniline
The XLogP value of 3.5 indicates that N-(4-Bromobenzylidene)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.4 Ų, N-(4-Bromobenzylidene)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-Bromobenzylidene)aniline 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 N-(4-Bromobenzylidene)aniline?
The CAS number of N-(4-Bromobenzylidene)aniline is 1613-97-4.
What is the molecular formula of N-(4-Bromobenzylidene)aniline?
The molecular formula of N-(4-Bromobenzylidene)aniline is C13H10BrN.
What is the molecular weight of N-(4-Bromobenzylidene)aniline?
The molecular weight of N-(4-Bromobenzylidene)aniline is 259.00 g/mol.
Where can I buy N-(4-Bromobenzylidene)aniline?
You can request a quote for N-(4-Bromobenzylidene)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-Bromobenzylidene)aniline?
Yes, KEHONG BIO provides custom synthesis services for N-(4-Bromobenzylidene)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.