![azepan-1-yl[5-(4-bromophenyl)-1H-pyrazol-3-yl]methanone structure](/static/products/109/1093429-59-4.png)
azepan-1-yl[5-(4-bromophenyl)-1H-pyrazol-3-yl]methanone
TL;DR: azepan-1-yl[5-(4-bromophenyl)-1H-pyrazol-3-yl]methanone (CAS 1093429-59-4) is a chemical compound with molecular formula C16H18BrN3O and molecular weight 347.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azepan-1-yl-[3-(4-bromophenyl)-1H-pyrazol-5-yl]methanone
Also Known As: azepan-1-yl[5-(4-bromophenyl)-1H-pyrazol-3-yl]methanone, 1-[3-(4-BROMOPHENYL)-1H-PYRAZOLE-5-CARBONYL]AZEPANE, azepan-1-yl-[3-(4-bromophenyl)-1H-pyrazol-5-yl]methanone
| Molecular Formula | C16H18BrN3O |
|---|---|
| Molecular Weight | 347.06 g/mol |
| LogP | 3.8554 |
| Topological Polar Surface Area | 48.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 347.06332 |
| Heavy Atoms | 21 |
| Complexity | 612.7073 |
Chemical Identifiers
| CAS Number | 1093429-59-4 |
|---|---|
| SMILES | C1CCCN(CC1)C(=O)C2=CC(=NN2)C3=CC=C(C=C3)Br |
Product Overview
azepan-1-yl[5-(4-bromophenyl)-1H-pyrazol-3-yl]methanone (CAS 1093429-59-4), with molecular formula C16H18BrN3O and molecular weight 347.06 g/mol. IUPAC: azepan-1-yl-[3-(4-bromophenyl)-1H-pyrazol-5-yl]methanone.
Chemical Property Profile of azepan-1-yl[5-(4-bromophenyl)-1H-pyrazol-3-yl]methanone
Property Insights of azepan-1-yl[5-(4-bromophenyl)-1H-pyrazol-3-yl]methanone
The XLogP value of 3.8554 indicates that azepan-1-yl[5-(4-bromophenyl)-1H-pyrazol-3-yl]methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.99 Ų, azepan-1-yl[5-(4-bromophenyl)-1H-pyrazol-3-yl]methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, azepan-1-yl[5-(4-bromophenyl)-1H-pyrazol-3-yl]methanone has 1 hydrogen bond donor(s) and 2 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[5-(4-bromophenyl)-1H-pyrazol-3-yl]methanone?
The CAS number of azepan-1-yl[5-(4-bromophenyl)-1H-pyrazol-3-yl]methanone is 1093429-59-4.
What is the molecular formula of azepan-1-yl[5-(4-bromophenyl)-1H-pyrazol-3-yl]methanone?
The molecular formula of azepan-1-yl[5-(4-bromophenyl)-1H-pyrazol-3-yl]methanone is C16H18BrN3O.
What is the molecular weight of azepan-1-yl[5-(4-bromophenyl)-1H-pyrazol-3-yl]methanone?
The molecular weight of azepan-1-yl[5-(4-bromophenyl)-1H-pyrazol-3-yl]methanone is 347.06 g/mol.
Where can I buy azepan-1-yl[5-(4-bromophenyl)-1H-pyrazol-3-yl]methanone?
You can request a quote for azepan-1-yl[5-(4-bromophenyl)-1H-pyrazol-3-yl]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[5-(4-bromophenyl)-1H-pyrazol-3-yl]methanone?
Yes, KEHONG BIO provides custom synthesis services for azepan-1-yl[5-(4-bromophenyl)-1H-pyrazol-3-yl]methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.