Methyl 6-methyl-2-oxo-2H-pyran-5-carboxylate
TL;DR: Methyl 6-methyl-2-oxo-2H-pyran-5-carboxylate (CAS 669-40-9) is a chemical compound with molecular formula C8H8O4 and molecular weight 168.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-methyl-6-oxopyran-3-carboxylate
Also Known As: Methyl 6-methyl-2-oxo-2H-pyran-5-carboxylate, UTSNHPVYMMOGPU-UHFFFAOYSA-, methyl 2-methyl-6-oxopyran-3-carboxylate, methyl 6-methyl-2-methylene-2H-pyran-5-carboxylate, Methyl6-methyl-2-oxo-2H-pyran-5-carboxylate
| Molecular Formula | C8H8O4 |
|---|---|
| Molecular Weight | 168.04 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 168.04225 |
| Heavy Atoms | 12 |
| Complexity | 285.0 |
Chemical Identifiers
| CAS Number | 669-40-9 |
|---|---|
| SMILES | CC1=C(C=CC(=O)O1)C(=O)OC |
| InChIKey | UTSNHPVYMMOGPU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 6-methyl-2-oxo-2H-pyran-5-carboxylate (CAS 669-40-9), with molecular formula C8H8O4 and molecular weight 168.04 g/mol. IUPAC: methyl 2-methyl-6-oxopyran-3-carboxylate.
Chemical Property Profile of Methyl 6-methyl-2-oxo-2H-pyran-5-carboxylate
Property Insights of Methyl 6-methyl-2-oxo-2H-pyran-5-carboxylate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 6-methyl-2-oxo-2H-pyran-5-carboxylate. With a topological polar surface area (TPSA) of 52.6 Ų, Methyl 6-methyl-2-oxo-2H-pyran-5-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 6-methyl-2-oxo-2H-pyran-5-carboxylate has 0 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 Methyl 6-methyl-2-oxo-2H-pyran-5-carboxylate?
The CAS number of Methyl 6-methyl-2-oxo-2H-pyran-5-carboxylate is 669-40-9.
What is the molecular formula of Methyl 6-methyl-2-oxo-2H-pyran-5-carboxylate?
The molecular formula of Methyl 6-methyl-2-oxo-2H-pyran-5-carboxylate is C8H8O4.
What is the molecular weight of Methyl 6-methyl-2-oxo-2H-pyran-5-carboxylate?
The molecular weight of Methyl 6-methyl-2-oxo-2H-pyran-5-carboxylate is 168.04 g/mol.
Where can I buy Methyl 6-methyl-2-oxo-2H-pyran-5-carboxylate?
You can request a quote for Methyl 6-methyl-2-oxo-2H-pyran-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 6-methyl-2-oxo-2H-pyran-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 6-methyl-2-oxo-2H-pyran-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.