2H-Pyran-5-carboxylic acid, 4,6-dimethyl-2-oxo-, methyl ester
TL;DR: 2H-Pyran-5-carboxylic acid, 4,6-dimethyl-2-oxo-, methyl ester (CAS 41264-06-6) is a chemical compound with molecular formula C9H10O4 and molecular weight 182.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,4-dimethyl-6-oxopyran-3-carboxylate
Also Known As: Methyl isodehydroacetate, Methyl 4,6-dimethyl-2-oxo-2H-pyran-5-carboxylate, Methyl isodehydracetate, Methylisodehydroacetate, Methyl isodehydrocetate
| Molecular Formula | C9H10O4 |
|---|---|
| Molecular Weight | 182.06 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 182.0579 |
| Heavy Atoms | 13 |
| Complexity | 323.0 |
Chemical Identifiers
| CAS Number | 41264-06-6 |
|---|---|
| SMILES | CC1=CC(=O)OC(=C1C(=O)OC)C |
| InChIKey | VLYBFLKIZIACQH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2H-Pyran-5-carboxylic acid, 4,6-dimethyl-2-oxo-, methyl ester (CAS 41264-06-6), with molecular formula C9H10O4 and molecular weight 182.06 g/mol. IUPAC: methyl 2,4-dimethyl-6-oxopyran-3-carboxylate.
Chemical Property Profile of 2H-Pyran-5-carboxylic acid, 4,6-dimethyl-2-oxo-, methyl ester
Property Insights of 2H-Pyran-5-carboxylic acid, 4,6-dimethyl-2-oxo-, methyl ester
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-Pyran-5-carboxylic acid, 4,6-dimethyl-2-oxo-, methyl ester. With a topological polar surface area (TPSA) of 52.6 Ų, 2H-Pyran-5-carboxylic acid, 4,6-dimethyl-2-oxo-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-Pyran-5-carboxylic acid, 4,6-dimethyl-2-oxo-, methyl ester 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 2H-Pyran-5-carboxylic acid, 4,6-dimethyl-2-oxo-, methyl ester?
The CAS number of 2H-Pyran-5-carboxylic acid, 4,6-dimethyl-2-oxo-, methyl ester is 41264-06-6.
What is the molecular formula of 2H-Pyran-5-carboxylic acid, 4,6-dimethyl-2-oxo-, methyl ester?
The molecular formula of 2H-Pyran-5-carboxylic acid, 4,6-dimethyl-2-oxo-, methyl ester is C9H10O4.
What is the molecular weight of 2H-Pyran-5-carboxylic acid, 4,6-dimethyl-2-oxo-, methyl ester?
The molecular weight of 2H-Pyran-5-carboxylic acid, 4,6-dimethyl-2-oxo-, methyl ester is 182.06 g/mol.
Where can I buy 2H-Pyran-5-carboxylic acid, 4,6-dimethyl-2-oxo-, methyl ester?
You can request a quote for 2H-Pyran-5-carboxylic acid, 4,6-dimethyl-2-oxo-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-Pyran-5-carboxylic acid, 4,6-dimethyl-2-oxo-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2H-Pyran-5-carboxylic acid, 4,6-dimethyl-2-oxo-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.