![5-[(2-chloro-6-fluorobenzyl)oxy]-2-(hydroxymethyl)-4H-pyran-4-one structure](/static/products/866/866040-48-4.png)
5-[(2-chloro-6-fluorobenzyl)oxy]-2-(hydroxymethyl)-4H-pyran-4-one
TL;DR: 5-[(2-chloro-6-fluorobenzyl)oxy]-2-(hydroxymethyl)-4H-pyran-4-one (CAS 866040-48-4) is a chemical compound with molecular formula C13H10ClFO4 and molecular weight 284.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(2-chloro-6-fluorophenyl)methoxy]-2-(hydroxymethyl)pyran-4-one
Also Known As: 5-[(2-chloro-6-fluorobenzyl)oxy]-2-(hydroxymethyl)-4H-pyran-4-one, 5-[(2-chloro-6-fluorophenyl)methoxy]-2-(hydroxymethyl)-4H-pyran-4-one, 5-[(2-chloro-6-fluorophenyl)methoxy]-2-(hydroxymethyl)pyran-4-one, 5-((2-Chloro-6-fluorobenzyl)oxy)-2-(hydroxymethyl)-4H-pyran-4-one, 5-[(2-chloro-6-fluoro-phenyl)methoxy]-2-(hydroxymethyl)pyran-4-one
| Molecular Formula | C13H10ClFO4 |
|---|---|
| Molecular Weight | 284.03 g/mol |
| LogP | 2.5036 |
| Topological Polar Surface Area | 59.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 284.02518 |
| Heavy Atoms | 19 |
| Complexity | 618.53064 |
Chemical Identifiers
| CAS Number | 866040-48-4 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)COC2=COC(=CC2=O)CO)F |
Product Overview
5-[(2-chloro-6-fluorobenzyl)oxy]-2-(hydroxymethyl)-4H-pyran-4-one (CAS 866040-48-4), with molecular formula C13H10ClFO4 and molecular weight 284.03 g/mol. IUPAC: 5-[(2-chloro-6-fluorophenyl)methoxy]-2-(hydroxymethyl)pyran-4-one.
Chemical Property Profile of 5-[(2-chloro-6-fluorobenzyl)oxy]-2-(hydroxymethyl)-4H-pyran-4-one
Property Insights of 5-[(2-chloro-6-fluorobenzyl)oxy]-2-(hydroxymethyl)-4H-pyran-4-one
The XLogP value of 2.5036 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[(2-chloro-6-fluorobenzyl)oxy]-2-(hydroxymethyl)-4H-pyran-4-one. With a topological polar surface area (TPSA) of 59.67 Ų, 5-[(2-chloro-6-fluorobenzyl)oxy]-2-(hydroxymethyl)-4H-pyran-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-[(2-chloro-6-fluorobenzyl)oxy]-2-(hydroxymethyl)-4H-pyran-4-one has 1 hydrogen bond donor(s) and 4 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 5-[(2-chloro-6-fluorobenzyl)oxy]-2-(hydroxymethyl)-4H-pyran-4-one?
The CAS number of 5-[(2-chloro-6-fluorobenzyl)oxy]-2-(hydroxymethyl)-4H-pyran-4-one is 866040-48-4.
What is the molecular formula of 5-[(2-chloro-6-fluorobenzyl)oxy]-2-(hydroxymethyl)-4H-pyran-4-one?
The molecular formula of 5-[(2-chloro-6-fluorobenzyl)oxy]-2-(hydroxymethyl)-4H-pyran-4-one is C13H10ClFO4.
What is the molecular weight of 5-[(2-chloro-6-fluorobenzyl)oxy]-2-(hydroxymethyl)-4H-pyran-4-one?
The molecular weight of 5-[(2-chloro-6-fluorobenzyl)oxy]-2-(hydroxymethyl)-4H-pyran-4-one is 284.03 g/mol.
Where can I buy 5-[(2-chloro-6-fluorobenzyl)oxy]-2-(hydroxymethyl)-4H-pyran-4-one?
You can request a quote for 5-[(2-chloro-6-fluorobenzyl)oxy]-2-(hydroxymethyl)-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 5-[(2-chloro-6-fluorobenzyl)oxy]-2-(hydroxymethyl)-4H-pyran-4-one?
Yes, KEHONG BIO provides custom synthesis services for 5-[(2-chloro-6-fluorobenzyl)oxy]-2-(hydroxymethyl)-4H-pyran-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.