Azepan-1-yl(4-bromophenyl)methanone
TL;DR: Azepan-1-yl(4-bromophenyl)methanone (CAS 301228-26-2) is a chemical compound with molecular formula C13H16BrNO and molecular weight 281.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azepan-1-yl-(4-bromophenyl)methanone
Also Known As: azepan-1-yl(4-bromophenyl)methanone, azepan-1-yl-(4-bromophenyl)methanone, azaperhydroepinyl 4-bromophenyl ketone, BAS 03215240, Azepan-1-yl-(4-bromo-phenyl)-methanone
| Molecular Formula | C13H16BrNO |
|---|---|
| Molecular Weight | 281.04 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 281.04153 |
| Heavy Atoms | 16 |
| Complexity | 228.0 |
Chemical Identifiers
| CAS Number | 301228-26-2 |
|---|---|
| SMILES | C1CCCN(CC1)C(=O)C2=CC=C(C=C2)Br |
| InChIKey | FBSWACMZVGCRSZ-UHFFFAOYSA-N |
Product Overview
Azepan-1-yl(4-bromophenyl)methanone (CAS 301228-26-2), with molecular formula C13H16BrNO and molecular weight 281.04 g/mol. IUPAC: azepan-1-yl-(4-bromophenyl)methanone.
Chemical Property Profile of Azepan-1-yl(4-bromophenyl)methanone
Property Insights of Azepan-1-yl(4-bromophenyl)methanone
The XLogP value of 3.3 indicates that Azepan-1-yl(4-bromophenyl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.3 Ų, Azepan-1-yl(4-bromophenyl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Azepan-1-yl(4-bromophenyl)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(4-bromophenyl)methanone?
The CAS number of Azepan-1-yl(4-bromophenyl)methanone is 301228-26-2.
What is the molecular formula of Azepan-1-yl(4-bromophenyl)methanone?
The molecular formula of Azepan-1-yl(4-bromophenyl)methanone is C13H16BrNO.
What is the molecular weight of Azepan-1-yl(4-bromophenyl)methanone?
The molecular weight of Azepan-1-yl(4-bromophenyl)methanone is 281.04 g/mol.
Where can I buy Azepan-1-yl(4-bromophenyl)methanone?
You can request a quote for Azepan-1-yl(4-bromophenyl)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(4-bromophenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for Azepan-1-yl(4-bromophenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.