![2-[4-Oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxyacetonitrile structure](/static/products/898/898418-36-5.png)
2-[4-Oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxyacetonitrile
TL;DR: 2-[4-Oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxyacetonitrile (CAS 898418-36-5) is a chemical compound with molecular formula C18H19N3O3 and molecular weight 325.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxyacetonitrile
Also Known As: 2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxyacetonitrile, 2-((4-oxo-6-((4-phenylpiperazin-1-yl)methyl)-4H-pyran-3-yl)oxy)acetonitrile, 2-({4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]-4H-pyran-3-yl}oxy)acetonitrile
| Molecular Formula | C18H19N3O3 |
|---|---|
| Molecular Weight | 325.14 g/mol |
| LogP | 1.86438 |
| Topological Polar Surface Area | 69.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 325.14264 |
| Heavy Atoms | 24 |
| Complexity | 759.0687 |
Chemical Identifiers
| CAS Number | 898418-36-5 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC(=O)C(=CO2)OCC#N)C3=CC=CC=C3 |
Product Overview
2-[4-Oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxyacetonitrile (CAS 898418-36-5), with molecular formula C18H19N3O3 and molecular weight 325.14 g/mol. IUPAC: 2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxyacetonitrile.
Chemical Property Profile of 2-[4-Oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxyacetonitrile
Property Insights of 2-[4-Oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxyacetonitrile
The XLogP value of 1.86438 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[4-Oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxyacetonitrile. The TPSA of 69.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[4-Oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxyacetonitrile. Following Lipinski's Rule of Five, 2-[4-Oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxyacetonitrile 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 2-[4-Oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxyacetonitrile?
The CAS number of 2-[4-Oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxyacetonitrile is 898418-36-5.
What is the molecular formula of 2-[4-Oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxyacetonitrile?
The molecular formula of 2-[4-Oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxyacetonitrile is C18H19N3O3.
What is the molecular weight of 2-[4-Oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxyacetonitrile?
The molecular weight of 2-[4-Oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxyacetonitrile is 325.14 g/mol.
Where can I buy 2-[4-Oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxyacetonitrile?
You can request a quote for 2-[4-Oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxyacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[4-Oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxyacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-Oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxyacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.