1-benzyl-5-(benzyloxy)-2-(hydroxymethyl)pyridin-4(1H)-one
TL;DR: 1-benzyl-5-(benzyloxy)-2-(hydroxymethyl)pyridin-4(1H)-one (CAS 112335-11-2) is a chemical compound with molecular formula C20H19NO3 and molecular weight 321.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-2-(hydroxymethyl)-5-phenylmethoxypyridin-4-one
Also Known As: 1-benzyl-5-(benzyloxy)-2-(hydroxymethyl)pyridin-4(1H)-one, 1-benzyl-2-(hydroxymethyl)-5-phenylmethoxypyridin-4-one, 1-benzyl-2-(hydroxymethyl)-5-phenylmethoxy-pyridin-4-one, 1-BENZYL-5-(BENZYLOXY)-2-(HYDROXYMETHYL)-4(1H)-PYRIDINONE, 2-(hydroxymethyl)-5-(phenylmethoxy)-1-(phenylmethyl)-4(1H)-pyridinone
| Molecular Formula | C20H19NO3 |
|---|---|
| Molecular Weight | 321.14 g/mol |
| LogP | 2.9679 |
| Topological Polar Surface Area | 51.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 321.1365 |
| Heavy Atoms | 24 |
| Complexity | 841.7629 |
Chemical Identifiers
| CAS Number | 112335-11-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C=C(C(=O)C=C2CO)OCC3=CC=CC=C3 |
Product Overview
1-benzyl-5-(benzyloxy)-2-(hydroxymethyl)pyridin-4(1H)-one (CAS 112335-11-2), with molecular formula C20H19NO3 and molecular weight 321.14 g/mol. IUPAC: 1-benzyl-2-(hydroxymethyl)-5-phenylmethoxypyridin-4-one.
Chemical Property Profile of 1-benzyl-5-(benzyloxy)-2-(hydroxymethyl)pyridin-4(1H)-one
Property Insights of 1-benzyl-5-(benzyloxy)-2-(hydroxymethyl)pyridin-4(1H)-one
The XLogP value of 2.9679 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-benzyl-5-(benzyloxy)-2-(hydroxymethyl)pyridin-4(1H)-one. With a topological polar surface area (TPSA) of 51.46 Ų, 1-benzyl-5-(benzyloxy)-2-(hydroxymethyl)pyridin-4(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-benzyl-5-(benzyloxy)-2-(hydroxymethyl)pyridin-4(1H)-one has 1 hydrogen bond donor(s) and 3 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-benzyl-5-(benzyloxy)-2-(hydroxymethyl)pyridin-4(1H)-one?
The CAS number of 1-benzyl-5-(benzyloxy)-2-(hydroxymethyl)pyridin-4(1H)-one is 112335-11-2.
What is the molecular formula of 1-benzyl-5-(benzyloxy)-2-(hydroxymethyl)pyridin-4(1H)-one?
The molecular formula of 1-benzyl-5-(benzyloxy)-2-(hydroxymethyl)pyridin-4(1H)-one is C20H19NO3.
What is the molecular weight of 1-benzyl-5-(benzyloxy)-2-(hydroxymethyl)pyridin-4(1H)-one?
The molecular weight of 1-benzyl-5-(benzyloxy)-2-(hydroxymethyl)pyridin-4(1H)-one is 321.14 g/mol.
Where can I buy 1-benzyl-5-(benzyloxy)-2-(hydroxymethyl)pyridin-4(1H)-one?
You can request a quote for 1-benzyl-5-(benzyloxy)-2-(hydroxymethyl)pyridin-4(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-benzyl-5-(benzyloxy)-2-(hydroxymethyl)pyridin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 1-benzyl-5-(benzyloxy)-2-(hydroxymethyl)pyridin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.