2-((6-((4-(2-methoxyphenyl)piperazin-1-yl)methyl)-4-oxo-4H-pyran-3-yl)oxy)acetonitrile
TL;DR: 2-((6-((4-(2-methoxyphenyl)piperazin-1-yl)methyl)-4-oxo-4H-pyran-3-yl)oxy)acetonitrile (CAS 898442-34-7) is a chemical compound with molecular formula C19H21N3O4 and molecular weight 355.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxyacetonitrile
Also Known As: 2-((6-((4-(2-methoxyphenyl)piperazin-1-yl)methyl)-4-oxo-4H-pyran-3-yl)oxy)acetonitrile, 2-[6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxyacetonitrile, 2-[6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-4-oxo-pyran-3-yl]oxyacetonitrile
| Molecular Formula | C19H21N3O4 |
|---|---|
| Molecular Weight | 355.15 g/mol |
| LogP | 1.87298 |
| Topological Polar Surface Area | 78.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 355.1532 |
| Heavy Atoms | 26 |
| Complexity | 835.16327 |
Chemical Identifiers
| CAS Number | 898442-34-7 |
|---|---|
| SMILES | COC1=CC=CC=C1N2CCN(CC2)CC3=CC(=O)C(=CO3)OCC#N |
Product Overview
2-((6-((4-(2-methoxyphenyl)piperazin-1-yl)methyl)-4-oxo-4H-pyran-3-yl)oxy)acetonitrile (CAS 898442-34-7), with molecular formula C19H21N3O4 and molecular weight 355.15 g/mol. IUPAC: 2-[6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxyacetonitrile.
Chemical Property Profile of 2-((6-((4-(2-methoxyphenyl)piperazin-1-yl)methyl)-4-oxo-4H-pyran-3-yl)oxy)acetonitrile
Property Insights of 2-((6-((4-(2-methoxyphenyl)piperazin-1-yl)methyl)-4-oxo-4H-pyran-3-yl)oxy)acetonitrile
The XLogP value of 1.87298 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((6-((4-(2-methoxyphenyl)piperazin-1-yl)methyl)-4-oxo-4H-pyran-3-yl)oxy)acetonitrile. The TPSA of 78.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((6-((4-(2-methoxyphenyl)piperazin-1-yl)methyl)-4-oxo-4H-pyran-3-yl)oxy)acetonitrile. Following Lipinski's Rule of Five, 2-((6-((4-(2-methoxyphenyl)piperazin-1-yl)methyl)-4-oxo-4H-pyran-3-yl)oxy)acetonitrile has 0 hydrogen bond donor(s) and 7 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-((6-((4-(2-methoxyphenyl)piperazin-1-yl)methyl)-4-oxo-4H-pyran-3-yl)oxy)acetonitrile?
The CAS number of 2-((6-((4-(2-methoxyphenyl)piperazin-1-yl)methyl)-4-oxo-4H-pyran-3-yl)oxy)acetonitrile is 898442-34-7.
What is the molecular formula of 2-((6-((4-(2-methoxyphenyl)piperazin-1-yl)methyl)-4-oxo-4H-pyran-3-yl)oxy)acetonitrile?
The molecular formula of 2-((6-((4-(2-methoxyphenyl)piperazin-1-yl)methyl)-4-oxo-4H-pyran-3-yl)oxy)acetonitrile is C19H21N3O4.
What is the molecular weight of 2-((6-((4-(2-methoxyphenyl)piperazin-1-yl)methyl)-4-oxo-4H-pyran-3-yl)oxy)acetonitrile?
The molecular weight of 2-((6-((4-(2-methoxyphenyl)piperazin-1-yl)methyl)-4-oxo-4H-pyran-3-yl)oxy)acetonitrile is 355.15 g/mol.
Where can I buy 2-((6-((4-(2-methoxyphenyl)piperazin-1-yl)methyl)-4-oxo-4H-pyran-3-yl)oxy)acetonitrile?
You can request a quote for 2-((6-((4-(2-methoxyphenyl)piperazin-1-yl)methyl)-4-oxo-4H-pyran-3-yl)oxy)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((6-((4-(2-methoxyphenyl)piperazin-1-yl)methyl)-4-oxo-4H-pyran-3-yl)oxy)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-((6-((4-(2-methoxyphenyl)piperazin-1-yl)methyl)-4-oxo-4H-pyran-3-yl)oxy)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.