1-(3-Bromobenzyl)azepane
TL;DR: 1-(3-Bromobenzyl)azepane (CAS 414889-80-8) is a chemical compound with molecular formula C13H18BrN and molecular weight 267.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3-bromophenyl)methyl]azepane
Also Known As: 1-(3-bromobenzyl)azepane, 1-[(3-bromophenyl)methyl]azepane, 1-(3-Bromobenzyl)-azepane, 1-(3-bromophenyl)methylazepane, Cambridge id 5268255
| Molecular Formula | C13H18BrN |
|---|---|
| Molecular Weight | 267.06 g/mol |
| LogP | 3.8251 |
| Topological Polar Surface Area | 3.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 267.06226 |
| Heavy Atoms | 15 |
| Complexity | 303.15918 |
Chemical Identifiers
| CAS Number | 414889-80-8 |
|---|---|
| SMILES | C1CCCN(CC1)CC2=CC(=CC=C2)Br |
Product Overview
1-(3-Bromobenzyl)azepane (CAS 414889-80-8), with molecular formula C13H18BrN and molecular weight 267.06 g/mol. IUPAC: 1-[(3-bromophenyl)methyl]azepane.
Chemical Property Profile of 1-(3-Bromobenzyl)azepane
Property Insights of 1-(3-Bromobenzyl)azepane
The XLogP value of 3.8251 indicates that 1-(3-Bromobenzyl)azepane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.24 Ų, 1-(3-Bromobenzyl)azepane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Bromobenzyl)azepane 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 1-(3-Bromobenzyl)azepane?
The CAS number of 1-(3-Bromobenzyl)azepane is 414889-80-8.
What is the molecular formula of 1-(3-Bromobenzyl)azepane?
The molecular formula of 1-(3-Bromobenzyl)azepane is C13H18BrN.
What is the molecular weight of 1-(3-Bromobenzyl)azepane?
The molecular weight of 1-(3-Bromobenzyl)azepane is 267.06 g/mol.
Where can I buy 1-(3-Bromobenzyl)azepane?
You can request a quote for 1-(3-Bromobenzyl)azepane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Bromobenzyl)azepane?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Bromobenzyl)azepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.