![5-[2-(azepan-1-yl)-2-oxoethoxy]-2-[(4-phenylpiperazin-1-yl)methyl]-4H-pyran-4-one structure](/static/products/898/898440-16-9.png)
5-[2-(azepan-1-yl)-2-oxoethoxy]-2-[(4-phenylpiperazin-1-yl)methyl]-4H-pyran-4-one
TL;DR: 5-[2-(azepan-1-yl)-2-oxoethoxy]-2-[(4-phenylpiperazin-1-yl)methyl]-4H-pyran-4-one (CAS 898440-16-9) is a chemical compound with molecular formula C24H31N3O4 and molecular weight 425.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-(azepan-1-yl)-2-oxoethoxy]-2-[(4-phenylpiperazin-1-yl)methyl]pyran-4-one
Also Known As: 5-[2-(azepan-1-yl)-2-oxoethoxy]-2-[(4-phenylpiperazin-1-yl)methyl]-4H-pyran-4-one, F2617-0139, 5-(2-(azepan-1-yl)-2-oxoethoxy)-2-((4-phenylpiperazin-1-yl)methyl)-4H-pyran-4-one, 5-[2-(azepan-1-yl)-2-oxoethoxy]-2-[(4-phenylpiperazin-1-yl)methyl]pyran-4-one, 5-[2-(azepan-1-yl)-2-oxo-ethoxy]-2-[(4-phenylpiperazin-1-yl)methyl]pyran-4-one
| Molecular Formula | C24H31N3O4 |
|---|---|
| Molecular Weight | 425.23 g/mol |
| LogP | 2.7434 |
| Topological Polar Surface Area | 66.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 425.23145 |
| Heavy Atoms | 31 |
| Complexity | 898.54047 |
Chemical Identifiers
| CAS Number | 898440-16-9 |
|---|---|
| SMILES | C1CCCN(CC1)C(=O)COC2=COC(=CC2=O)CN3CCN(CC3)C4=CC=CC=C4 |
Product Overview
5-[2-(azepan-1-yl)-2-oxoethoxy]-2-[(4-phenylpiperazin-1-yl)methyl]-4H-pyran-4-one (CAS 898440-16-9), with molecular formula C24H31N3O4 and molecular weight 425.23 g/mol. IUPAC: 5-[2-(azepan-1-yl)-2-oxoethoxy]-2-[(4-phenylpiperazin-1-yl)methyl]pyran-4-one.
Chemical Property Profile of 5-[2-(azepan-1-yl)-2-oxoethoxy]-2-[(4-phenylpiperazin-1-yl)methyl]-4H-pyran-4-one
Property Insights of 5-[2-(azepan-1-yl)-2-oxoethoxy]-2-[(4-phenylpiperazin-1-yl)methyl]-4H-pyran-4-one
The XLogP value of 2.7434 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[2-(azepan-1-yl)-2-oxoethoxy]-2-[(4-phenylpiperazin-1-yl)methyl]-4H-pyran-4-one. The TPSA of 66.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[2-(azepan-1-yl)-2-oxoethoxy]-2-[(4-phenylpiperazin-1-yl)methyl]-4H-pyran-4-one. Following Lipinski's Rule of Five, 5-[2-(azepan-1-yl)-2-oxoethoxy]-2-[(4-phenylpiperazin-1-yl)methyl]-4H-pyran-4-one has 0 hydrogen bond donor(s) and 6 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 5-[2-(azepan-1-yl)-2-oxoethoxy]-2-[(4-phenylpiperazin-1-yl)methyl]-4H-pyran-4-one?
The CAS number of 5-[2-(azepan-1-yl)-2-oxoethoxy]-2-[(4-phenylpiperazin-1-yl)methyl]-4H-pyran-4-one is 898440-16-9.
What is the molecular formula of 5-[2-(azepan-1-yl)-2-oxoethoxy]-2-[(4-phenylpiperazin-1-yl)methyl]-4H-pyran-4-one?
The molecular formula of 5-[2-(azepan-1-yl)-2-oxoethoxy]-2-[(4-phenylpiperazin-1-yl)methyl]-4H-pyran-4-one is C24H31N3O4.
What is the molecular weight of 5-[2-(azepan-1-yl)-2-oxoethoxy]-2-[(4-phenylpiperazin-1-yl)methyl]-4H-pyran-4-one?
The molecular weight of 5-[2-(azepan-1-yl)-2-oxoethoxy]-2-[(4-phenylpiperazin-1-yl)methyl]-4H-pyran-4-one is 425.23 g/mol.
Where can I buy 5-[2-(azepan-1-yl)-2-oxoethoxy]-2-[(4-phenylpiperazin-1-yl)methyl]-4H-pyran-4-one?
You can request a quote for 5-[2-(azepan-1-yl)-2-oxoethoxy]-2-[(4-phenylpiperazin-1-yl)methyl]-4H-pyran-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[2-(azepan-1-yl)-2-oxoethoxy]-2-[(4-phenylpiperazin-1-yl)methyl]-4H-pyran-4-one?
Yes, KEHONG BIO provides custom synthesis services for 5-[2-(azepan-1-yl)-2-oxoethoxy]-2-[(4-phenylpiperazin-1-yl)methyl]-4H-pyran-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.