4-Bromo-N-(1-butyl-2-pyrrolidinylidene)-3-methylbenzenamine
TL;DR: 4-Bromo-N-(1-butyl-2-pyrrolidinylidene)-3-methylbenzenamine (CAS 51170-64-0) is a chemical compound with molecular formula C15H21BrN2 and molecular weight 308.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromo-3-methylphenyl)-1-butylpyrrolidin-2-imine
Also Known As: 4-Bromo-N-(1-butyl-2-pyrrolidinylidene)-3-methylbenzenamine, Pyrrolidine, 2-((4-bromo-3-methylphenyl)imino)-1-butyl-, Benzenamine, 4-bromo-N-(1-butyl-2-pyrrolidinylidene)-3-methyl-, N-(4-bromo-3-methylphenyl)-1-butylpyrrolidin-2-imine, BRN 1473608
| Molecular Formula | C15H21BrN2 |
|---|---|
| Molecular Weight | 308.09 g/mol |
| LogP | 4.68342 |
| Topological Polar Surface Area | 15.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 308.0888 |
| Heavy Atoms | 18 |
| Complexity | 440.11978 |
Chemical Identifiers
| CAS Number | 51170-64-0 |
|---|---|
| SMILES | CCCCN1CCCC1=NC2=CC(=C(C=C2)Br)C |
Product Overview
4-Bromo-N-(1-butyl-2-pyrrolidinylidene)-3-methylbenzenamine (CAS 51170-64-0), with molecular formula C15H21BrN2 and molecular weight 308.09 g/mol. IUPAC: N-(4-bromo-3-methylphenyl)-1-butylpyrrolidin-2-imine.
Chemical Property Profile of 4-Bromo-N-(1-butyl-2-pyrrolidinylidene)-3-methylbenzenamine
Property Insights of 4-Bromo-N-(1-butyl-2-pyrrolidinylidene)-3-methylbenzenamine
The XLogP value of 4.68342 indicates that 4-Bromo-N-(1-butyl-2-pyrrolidinylidene)-3-methylbenzenamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 15.6 Ų, 4-Bromo-N-(1-butyl-2-pyrrolidinylidene)-3-methylbenzenamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-N-(1-butyl-2-pyrrolidinylidene)-3-methylbenzenamine 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 4-Bromo-N-(1-butyl-2-pyrrolidinylidene)-3-methylbenzenamine?
The CAS number of 4-Bromo-N-(1-butyl-2-pyrrolidinylidene)-3-methylbenzenamine is 51170-64-0.
What is the molecular formula of 4-Bromo-N-(1-butyl-2-pyrrolidinylidene)-3-methylbenzenamine?
The molecular formula of 4-Bromo-N-(1-butyl-2-pyrrolidinylidene)-3-methylbenzenamine is C15H21BrN2.
What is the molecular weight of 4-Bromo-N-(1-butyl-2-pyrrolidinylidene)-3-methylbenzenamine?
The molecular weight of 4-Bromo-N-(1-butyl-2-pyrrolidinylidene)-3-methylbenzenamine is 308.09 g/mol.
Where can I buy 4-Bromo-N-(1-butyl-2-pyrrolidinylidene)-3-methylbenzenamine?
You can request a quote for 4-Bromo-N-(1-butyl-2-pyrrolidinylidene)-3-methylbenzenamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-N-(1-butyl-2-pyrrolidinylidene)-3-methylbenzenamine?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-N-(1-butyl-2-pyrrolidinylidene)-3-methylbenzenamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.