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3-[(4-fluorobenzyl)oxy]-2-methyl-4H-pyran-4-one
TL;DR: 3-[(4-fluorobenzyl)oxy]-2-methyl-4H-pyran-4-one (CAS 338956-74-4) is a chemical compound with molecular formula C13H11FO3 and molecular weight 234.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-fluorophenyl)methoxy]-2-methylpyran-4-one
Also Known As: 3-[(4-fluorobenzyl)oxy]-2-methyl-4H-pyran-4-one, 3-[(4-fluorophenyl)methoxy]-2-methyl-4H-pyran-4-one, 3-[(4-fluorophenyl)methoxy]-2-methylpyran-4-one, 3-((4-Fluorobenzyl)oxy)-2-methyl-4H-pyran-4-one, 3-[(4-fluorophenyl)methoxy]-2-methyl-pyran-4-one
| Molecular Formula | C13H11FO3 |
|---|---|
| Molecular Weight | 234.07 g/mol |
| LogP | 2.66632 |
| Topological Polar Surface Area | 39.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 234.06923 |
| Heavy Atoms | 17 |
| Complexity | 557.62244 |
Chemical Identifiers
| CAS Number | 338956-74-4 |
|---|---|
| SMILES | CC1=C(C(=O)C=CO1)OCC2=CC=C(C=C2)F |
Product Overview
3-[(4-fluorobenzyl)oxy]-2-methyl-4H-pyran-4-one (CAS 338956-74-4), with molecular formula C13H11FO3 and molecular weight 234.07 g/mol. IUPAC: 3-[(4-fluorophenyl)methoxy]-2-methylpyran-4-one.
Chemical Property Profile of 3-[(4-fluorobenzyl)oxy]-2-methyl-4H-pyran-4-one
Property Insights of 3-[(4-fluorobenzyl)oxy]-2-methyl-4H-pyran-4-one
The XLogP value of 2.66632 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(4-fluorobenzyl)oxy]-2-methyl-4H-pyran-4-one. With a topological polar surface area (TPSA) of 39.44 Ų, 3-[(4-fluorobenzyl)oxy]-2-methyl-4H-pyran-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(4-fluorobenzyl)oxy]-2-methyl-4H-pyran-4-one has 0 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 3-[(4-fluorobenzyl)oxy]-2-methyl-4H-pyran-4-one?
The CAS number of 3-[(4-fluorobenzyl)oxy]-2-methyl-4H-pyran-4-one is 338956-74-4.
What is the molecular formula of 3-[(4-fluorobenzyl)oxy]-2-methyl-4H-pyran-4-one?
The molecular formula of 3-[(4-fluorobenzyl)oxy]-2-methyl-4H-pyran-4-one is C13H11FO3.
What is the molecular weight of 3-[(4-fluorobenzyl)oxy]-2-methyl-4H-pyran-4-one?
The molecular weight of 3-[(4-fluorobenzyl)oxy]-2-methyl-4H-pyran-4-one is 234.07 g/mol.
Where can I buy 3-[(4-fluorobenzyl)oxy]-2-methyl-4H-pyran-4-one?
You can request a quote for 3-[(4-fluorobenzyl)oxy]-2-methyl-4H-pyran-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(4-fluorobenzyl)oxy]-2-methyl-4H-pyran-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-fluorobenzyl)oxy]-2-methyl-4H-pyran-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.