![3-(benzyl{[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]methyl}amino)propanenitrile structure](/static/products/865/865660-01-1.png)
3-(benzyl{[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]methyl}amino)propanenitrile
TL;DR: 3-(benzyl{[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]methyl}amino)propanenitrile (CAS 865660-01-1) is a chemical compound with molecular formula C17H18N2O4 and molecular weight 314.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[benzyl-[[3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-yl]methyl]amino]propanenitrile
Also Known As: 3-(benzyl{[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]methyl}amino)propanenitrile, 3-[benzyl({[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]methyl})amino]propanenitrile, 3X-0384, 3-[benzyl-[[3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-yl]methyl]amino]propanenitrile, 3-[benzyl-[[3-hydroxy-6-(hydroxymethyl)-4-oxo-pyran-2-yl]methyl]amino]propanenitrile
| Molecular Formula | C17H18N2O4 |
|---|---|
| Molecular Weight | 314.13 g/mol |
| LogP | 1.75358 |
| Topological Polar Surface Area | 97.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 314.12665 |
| Heavy Atoms | 23 |
| Complexity | 734.49396 |
Chemical Identifiers
| CAS Number | 865660-01-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN(CCC#N)CC2=C(C(=O)C=C(O2)CO)O |
Product Overview
3-(benzyl{[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]methyl}amino)propanenitrile (CAS 865660-01-1), with molecular formula C17H18N2O4 and molecular weight 314.13 g/mol. IUPAC: 3-[benzyl-[[3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-yl]methyl]amino]propanenitrile.
Chemical Property Profile of 3-(benzyl{[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]methyl}amino)propanenitrile
Property Insights of 3-(benzyl{[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]methyl}amino)propanenitrile
The XLogP value of 1.75358 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(benzyl{[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]methyl}amino)propanenitrile. The TPSA of 97.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(benzyl{[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]methyl}amino)propanenitrile. Following Lipinski's Rule of Five, 3-(benzyl{[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]methyl}amino)propanenitrile has 2 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 3-(benzyl{[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]methyl}amino)propanenitrile?
The CAS number of 3-(benzyl{[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]methyl}amino)propanenitrile is 865660-01-1.
What is the molecular formula of 3-(benzyl{[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]methyl}amino)propanenitrile?
The molecular formula of 3-(benzyl{[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]methyl}amino)propanenitrile is C17H18N2O4.
What is the molecular weight of 3-(benzyl{[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]methyl}amino)propanenitrile?
The molecular weight of 3-(benzyl{[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]methyl}amino)propanenitrile is 314.13 g/mol.
Where can I buy 3-(benzyl{[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]methyl}amino)propanenitrile?
You can request a quote for 3-(benzyl{[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]methyl}amino)propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(benzyl{[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]methyl}amino)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(benzyl{[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]methyl}amino)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.