p-Bromobenzylidene-propyl-amine
TL;DR: p-Bromobenzylidene-propyl-amine (CAS 54979-13-4) is a chemical compound with molecular formula C10H12BrN and molecular weight 225.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromophenyl)-N-propylmethanimine
Also Known As: p-bromobenzylidene-propyl-amine, 1-(4-bromophenyl)-N-propylmethanimine, N-(4-Bromobenzylidene)propan-1-amine, (E)-1-(4-Bromophenyl)-N-propylmethanimine, 1-Propanamine, N-[(4-bromophenyl)methylene]-
| Molecular Formula | C10H12BrN |
|---|---|
| Molecular Weight | 225.02 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 12.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 225.0153 |
| Heavy Atoms | 12 |
| Complexity | 137.0 |
Chemical Identifiers
| CAS Number | 54979-13-4 |
|---|---|
| SMILES | CCCN=CC1=CC=C(C=C1)Br |
| InChIKey | DAKVGMUXIVYXHK-UHFFFAOYSA-N |
Product Overview
p-Bromobenzylidene-propyl-amine (CAS 54979-13-4), with molecular formula C10H12BrN and molecular weight 225.02 g/mol. IUPAC: 1-(4-bromophenyl)-N-propylmethanimine.
Chemical Property Profile of p-Bromobenzylidene-propyl-amine
Property Insights of p-Bromobenzylidene-propyl-amine
The XLogP value of 3.1 indicates that p-Bromobenzylidene-propyl-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.4 Ų, p-Bromobenzylidene-propyl-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Bromobenzylidene-propyl-amine 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 p-Bromobenzylidene-propyl-amine?
The CAS number of p-Bromobenzylidene-propyl-amine is 54979-13-4.
What is the molecular formula of p-Bromobenzylidene-propyl-amine?
The molecular formula of p-Bromobenzylidene-propyl-amine is C10H12BrN.
What is the molecular weight of p-Bromobenzylidene-propyl-amine?
The molecular weight of p-Bromobenzylidene-propyl-amine is 225.02 g/mol.
Where can I buy p-Bromobenzylidene-propyl-amine?
You can request a quote for p-Bromobenzylidene-propyl-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Bromobenzylidene-propyl-amine?
Yes, KEHONG BIO provides custom synthesis services for p-Bromobenzylidene-propyl-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.