N-Benzylidene-3-bromoaniline
TL;DR: N-Benzylidene-3-bromoaniline (CAS 20534-67-2) 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.
N-(3-bromophenyl)-1-phenylmethanimine
Also Known As: N-Benzylidene-3-bromoaniline, Benzylidene-(3-bromophenyl)-amine, (E)-N-Benzylidene-3-bromoaniline, N-(3-bromophenyl)-1-phenylmethanimine, N-benzylidene 3-aminophenylbromide
| 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 | 209.0 |
Chemical Identifiers
| CAS Number | 20534-67-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=NC2=CC(=CC=C2)Br |
| InChIKey | VDPUMIMWQUCITF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Benzylidene-3-bromoaniline (CAS 20534-67-2), with molecular formula C13H10BrN and molecular weight 259.00 g/mol. IUPAC: N-(3-bromophenyl)-1-phenylmethanimine.
Chemical Property Profile of N-Benzylidene-3-bromoaniline
Property Insights of N-Benzylidene-3-bromoaniline
The XLogP value of 3.5 indicates that N-Benzylidene-3-bromoaniline 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-Benzylidene-3-bromoaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Benzylidene-3-bromoaniline 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-Benzylidene-3-bromoaniline?
The CAS number of N-Benzylidene-3-bromoaniline is 20534-67-2.
What is the molecular formula of N-Benzylidene-3-bromoaniline?
The molecular formula of N-Benzylidene-3-bromoaniline is C13H10BrN.
What is the molecular weight of N-Benzylidene-3-bromoaniline?
The molecular weight of N-Benzylidene-3-bromoaniline is 259.00 g/mol.
Where can I buy N-Benzylidene-3-bromoaniline?
You can request a quote for N-Benzylidene-3-bromoaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Benzylidene-3-bromoaniline?
Yes, KEHONG BIO provides custom synthesis services for N-Benzylidene-3-bromoaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.