Azepan-1-yl(3-bromo-4-methylphenyl)methanone
TL;DR: Azepan-1-yl(3-bromo-4-methylphenyl)methanone (CAS 443296-23-9) is a chemical compound with molecular formula C14H18BrNO and molecular weight 295.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azepan-1-yl-(3-bromo-4-methylphenyl)methanone
Also Known As: 1-(3-bromo-4-methylbenzoyl)azepane, azepan-1-yl(3-bromo-4-methylphenyl)methanone, azepan-1-yl-(3-bromo-4-methylphenyl)methanone, Cambridge id 7080865
| Molecular Formula | C14H18BrNO |
|---|---|
| Molecular Weight | 295.06 g/mol |
| LogP | 3.77372 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 295.0572 |
| Heavy Atoms | 17 |
| Complexity | 408.6833 |
Chemical Identifiers
| CAS Number | 443296-23-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)N2CCCCCC2)Br |
Product Overview
Azepan-1-yl(3-bromo-4-methylphenyl)methanone (CAS 443296-23-9), with molecular formula C14H18BrNO and molecular weight 295.06 g/mol. IUPAC: azepan-1-yl-(3-bromo-4-methylphenyl)methanone.
Chemical Property Profile of Azepan-1-yl(3-bromo-4-methylphenyl)methanone
Property Insights of Azepan-1-yl(3-bromo-4-methylphenyl)methanone
The XLogP value of 3.77372 indicates that Azepan-1-yl(3-bromo-4-methylphenyl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.31 Ų, Azepan-1-yl(3-bromo-4-methylphenyl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Azepan-1-yl(3-bromo-4-methylphenyl)methanone 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 Azepan-1-yl(3-bromo-4-methylphenyl)methanone?
The CAS number of Azepan-1-yl(3-bromo-4-methylphenyl)methanone is 443296-23-9.
What is the molecular formula of Azepan-1-yl(3-bromo-4-methylphenyl)methanone?
The molecular formula of Azepan-1-yl(3-bromo-4-methylphenyl)methanone is C14H18BrNO.
What is the molecular weight of Azepan-1-yl(3-bromo-4-methylphenyl)methanone?
The molecular weight of Azepan-1-yl(3-bromo-4-methylphenyl)methanone is 295.06 g/mol.
Where can I buy Azepan-1-yl(3-bromo-4-methylphenyl)methanone?
You can request a quote for Azepan-1-yl(3-bromo-4-methylphenyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Azepan-1-yl(3-bromo-4-methylphenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for Azepan-1-yl(3-bromo-4-methylphenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.