![1-[(4-bromo-1-methyl-1H-pyrazol-5-yl)carbonyl]azepane structure](/static/products/489/489405-13-2.png)
1-[(4-bromo-1-methyl-1H-pyrazol-5-yl)carbonyl]azepane
TL;DR: 1-[(4-bromo-1-methyl-1H-pyrazol-5-yl)carbonyl]azepane (CAS 489405-13-2) is a chemical compound with molecular formula C11H16BrN3O and molecular weight 285.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azepan-1-yl-(4-bromo-1-methylpyrazol-5-yl)methanone
Also Known As: 1-[(4-bromo-1-methyl-1H-pyrazol-5-yl)carbonyl]azepane, azepan-1-yl-(4-bromo-2-methylpyrazol-3-yl)methanone, azaperhydroepinyl 4-bromo-1-methylpyrazol-5-yl ketone, 1-AZEPANYL(4-BROMO-1-METHYL-1H-PYRAZOL-5-YL)METHANONE
| Molecular Formula | C11H16BrN3O |
|---|---|
| Molecular Weight | 285.05 g/mol |
| LogP | 2.1988 |
| Topological Polar Surface Area | 38.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 285.04767 |
| Heavy Atoms | 16 |
| Complexity | 361.08142 |
Chemical Identifiers
| CAS Number | 489405-13-2 |
|---|---|
| SMILES | CN1C(=C(C=N1)Br)C(=O)N2CCCCCC2 |
Product Overview
1-[(4-bromo-1-methyl-1H-pyrazol-5-yl)carbonyl]azepane (CAS 489405-13-2), with molecular formula C11H16BrN3O and molecular weight 285.05 g/mol. IUPAC: azepan-1-yl-(4-bromo-1-methylpyrazol-5-yl)methanone.
Chemical Property Profile of 1-[(4-bromo-1-methyl-1H-pyrazol-5-yl)carbonyl]azepane
Property Insights of 1-[(4-bromo-1-methyl-1H-pyrazol-5-yl)carbonyl]azepane
The XLogP value of 2.1988 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(4-bromo-1-methyl-1H-pyrazol-5-yl)carbonyl]azepane. With a topological polar surface area (TPSA) of 38.13 Ų, 1-[(4-bromo-1-methyl-1H-pyrazol-5-yl)carbonyl]azepane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(4-bromo-1-methyl-1H-pyrazol-5-yl)carbonyl]azepane has 0 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 1-[(4-bromo-1-methyl-1H-pyrazol-5-yl)carbonyl]azepane?
The CAS number of 1-[(4-bromo-1-methyl-1H-pyrazol-5-yl)carbonyl]azepane is 489405-13-2.
What is the molecular formula of 1-[(4-bromo-1-methyl-1H-pyrazol-5-yl)carbonyl]azepane?
The molecular formula of 1-[(4-bromo-1-methyl-1H-pyrazol-5-yl)carbonyl]azepane is C11H16BrN3O.
What is the molecular weight of 1-[(4-bromo-1-methyl-1H-pyrazol-5-yl)carbonyl]azepane?
The molecular weight of 1-[(4-bromo-1-methyl-1H-pyrazol-5-yl)carbonyl]azepane is 285.05 g/mol.
Where can I buy 1-[(4-bromo-1-methyl-1H-pyrazol-5-yl)carbonyl]azepane?
You can request a quote for 1-[(4-bromo-1-methyl-1H-pyrazol-5-yl)carbonyl]azepane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(4-bromo-1-methyl-1H-pyrazol-5-yl)carbonyl]azepane?
Yes, KEHONG BIO provides custom synthesis services for 1-[(4-bromo-1-methyl-1H-pyrazol-5-yl)carbonyl]azepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.