5-(Benzyloxy)-2-methyl-4H-pyran-4-one
TL;DR: 5-(Benzyloxy)-2-methyl-4H-pyran-4-one (CAS 100397-13-5) is a chemical compound with molecular formula C13H12O3 and molecular weight 216.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-5-phenylmethoxypyran-4-one
Also Known As: 5-benzyloxy-2-methyl-4-pyrone, ghl.PD_Mitscher_leg0.185, 2-methyl-5-phenylmethoxypyran-4-one, 5-(Benzyloxy)-2-methyl-4H-pyran-4-one, 2-Methyl-5-(benzyloxy)-4H-pyran-4-one
| Molecular Formula | C13H12O3 |
|---|---|
| Molecular Weight | 216.08 g/mol |
| LogP | 2.52722 |
| Topological Polar Surface Area | 39.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 216.07864 |
| Heavy Atoms | 16 |
| Complexity | 514.2009 |
Chemical Identifiers
| CAS Number | 100397-13-5 |
|---|---|
| SMILES | CC1=CC(=O)C(=CO1)OCC2=CC=CC=C2 |
Product Overview
5-(Benzyloxy)-2-methyl-4H-pyran-4-one (CAS 100397-13-5), with molecular formula C13H12O3 and molecular weight 216.08 g/mol. IUPAC: 2-methyl-5-phenylmethoxypyran-4-one.
Chemical Property Profile of 5-(Benzyloxy)-2-methyl-4H-pyran-4-one
Property Insights of 5-(Benzyloxy)-2-methyl-4H-pyran-4-one
The XLogP value of 2.52722 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Benzyloxy)-2-methyl-4H-pyran-4-one. With a topological polar surface area (TPSA) of 39.44 Ų, 5-(Benzyloxy)-2-methyl-4H-pyran-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(Benzyloxy)-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 5-(Benzyloxy)-2-methyl-4H-pyran-4-one?
The CAS number of 5-(Benzyloxy)-2-methyl-4H-pyran-4-one is 100397-13-5.
What is the molecular formula of 5-(Benzyloxy)-2-methyl-4H-pyran-4-one?
The molecular formula of 5-(Benzyloxy)-2-methyl-4H-pyran-4-one is C13H12O3.
What is the molecular weight of 5-(Benzyloxy)-2-methyl-4H-pyran-4-one?
The molecular weight of 5-(Benzyloxy)-2-methyl-4H-pyran-4-one is 216.08 g/mol.
Where can I buy 5-(Benzyloxy)-2-methyl-4H-pyran-4-one?
You can request a quote for 5-(Benzyloxy)-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 5-(Benzyloxy)-2-methyl-4H-pyran-4-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(Benzyloxy)-2-methyl-4H-pyran-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.