5-(Benzyloxy)-2-(hydroxymethyl)-1,4-dihydropyridin-4-one
TL;DR: 5-(Benzyloxy)-2-(hydroxymethyl)-1,4-dihydropyridin-4-one (CAS 165948-37-8) is a chemical compound with molecular formula C13H13NO3 and molecular weight 231.08954 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(hydroxymethyl)-5-phenylmethoxy-1H-pyridin-4-one
Also Known As: 5-(benzyloxy)-2-(hydroxymethyl)pyridin-4(1H)-one, 5-(Benzyloxy)-2-(hydroxymethyl)pyridin-4-ol, 5-(benzyloxy)-2-(hydroxymethyl)-4-pyridinol, Maybridge3_000383, benzyloxyhydroxymethylpyridinol
Technical Specifications
| Molecular Formula | C13H13NO3 |
| Molecular Weight | 231.08954 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 58.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 231.08954 Da |
| Heavy Atoms | 17 |
| Complexity | 341.0 |
| SMILES | C1=CC=C(C=C1)COC2=CNC(=CC2=O)CO |
| InChIKey | IWJLZADTSIIYBX-UHFFFAOYSA-N |
Chemical Property Profile of 5-(Benzyloxy)-2-(hydroxymethyl)-1,4-dihydropyridin-4-one
Property Insights of 5-(Benzyloxy)-2-(hydroxymethyl)-1,4-dihydropyridin-4-one
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Benzyloxy)-2-(hydroxymethyl)-1,4-dihydropyridin-4-one. With a topological polar surface area (TPSA) of 58.6 Ų, 5-(Benzyloxy)-2-(hydroxymethyl)-1,4-dihydropyridin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(Benzyloxy)-2-(hydroxymethyl)-1,4-dihydropyridin-4-one has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-(Benzyloxy)-2-(hydroxymethyl)-1,4-dihydropyridin-4-one?
The CAS number of 5-(Benzyloxy)-2-(hydroxymethyl)-1,4-dihydropyridin-4-one is 165948-37-8.
What is the molecular formula of 5-(Benzyloxy)-2-(hydroxymethyl)-1,4-dihydropyridin-4-one?
The molecular formula of 5-(Benzyloxy)-2-(hydroxymethyl)-1,4-dihydropyridin-4-one is C13H13NO3.
What is the molecular weight of 5-(Benzyloxy)-2-(hydroxymethyl)-1,4-dihydropyridin-4-one?
The molecular weight of 5-(Benzyloxy)-2-(hydroxymethyl)-1,4-dihydropyridin-4-one is 231.08954 g/mol.
Where can I buy 5-(Benzyloxy)-2-(hydroxymethyl)-1,4-dihydropyridin-4-one?
You can request a quote for 5-(Benzyloxy)-2-(hydroxymethyl)-1,4-dihydropyridin-4-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-(Benzyloxy)-2-(hydroxymethyl)-1,4-dihydropyridin-4-one?
Yes, CoreyChem provides custom synthesis services for 5-(Benzyloxy)-2-(hydroxymethyl)-1,4-dihydropyridin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.