3-Methoxy-2-methyl-4H-pyran-4-one
TL;DR: 3-Methoxy-2-methyl-4H-pyran-4-one (CAS 4780-14-7) is a chemical compound with molecular formula C7H8O3 and molecular weight 140.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methoxy-2-methylpyran-4-one
Also Known As: 3-Methoxy-2-methyl-4H-pyran-4-one, 3-methoxy-2-methylpyran-4-one, 3-Methoxy-2-Methyl-pyran-4-one, 3-methoxy-2-methyl-4-pyrone, Pantoprazole Impurity 26
| Molecular Formula | C7H8O3 |
|---|---|
| Molecular Weight | 140.05 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 140.04735 |
| Heavy Atoms | 10 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 4780-14-7 |
|---|---|
| SMILES | CC1=C(C(=O)C=CO1)OC |
| InChIKey | NGGPLHHTRNJSDT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methoxy-2-methyl-4H-pyran-4-one (CAS 4780-14-7), with molecular formula C7H8O3 and molecular weight 140.05 g/mol. IUPAC: 3-methoxy-2-methylpyran-4-one.
Chemical Property Profile of 3-Methoxy-2-methyl-4H-pyran-4-one
Property Insights of 3-Methoxy-2-methyl-4H-pyran-4-one
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methoxy-2-methyl-4H-pyran-4-one. With a topological polar surface area (TPSA) of 35.5 Ų, 3-Methoxy-2-methyl-4H-pyran-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methoxy-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-Methoxy-2-methyl-4H-pyran-4-one?
The CAS number of 3-Methoxy-2-methyl-4H-pyran-4-one is 4780-14-7.
What is the molecular formula of 3-Methoxy-2-methyl-4H-pyran-4-one?
The molecular formula of 3-Methoxy-2-methyl-4H-pyran-4-one is C7H8O3.
What is the molecular weight of 3-Methoxy-2-methyl-4H-pyran-4-one?
The molecular weight of 3-Methoxy-2-methyl-4H-pyran-4-one is 140.05 g/mol.
Where can I buy 3-Methoxy-2-methyl-4H-pyran-4-one?
You can request a quote for 3-Methoxy-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-Methoxy-2-methyl-4H-pyran-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Methoxy-2-methyl-4H-pyran-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.