2H-Pyran-5-carboxylic acid, 4-methoxy-6-methyl-2-oxo-, methyl ester
TL;DR: 2H-Pyran-5-carboxylic acid, 4-methoxy-6-methyl-2-oxo-, methyl ester (CAS 668-40-6) is a chemical compound with molecular formula C9H10O5 and molecular weight 198.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-methoxy-2-methyl-6-oxopyran-3-carboxylate
Also Known As: Methyl 4-methoxy-6-methyl-2-oxo-2H-pyran-5-carboxylate, methyl 4-methoxy-2-methyl-6-oxopyran-3-carboxylate, 2-Methyl-4-methoxy-6-oxo-6H-pyran-3-carboxylicacidmethylester, 2H-Pyran-5-carboxylic acid, 4-methoxy-6-methyl-2-oxo-, methyl ester, Methyl 4-methoxy-6-methyl-2-oxo-2H-pyran-5-carboxylate #
| Molecular Formula | C9H10O5 |
|---|---|
| Molecular Weight | 198.05 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 198.05283 |
| Heavy Atoms | 14 |
| Complexity | 337.0 |
Chemical Identifiers
| CAS Number | 668-40-6 |
|---|---|
| SMILES | CC1=C(C(=CC(=O)O1)OC)C(=O)OC |
| InChIKey | FTRWTXSSRMFVQH-UHFFFAOYSA-N |
Product Overview
2H-Pyran-5-carboxylic acid, 4-methoxy-6-methyl-2-oxo-, methyl ester (CAS 668-40-6), with molecular formula C9H10O5 and molecular weight 198.05 g/mol. IUPAC: methyl 4-methoxy-2-methyl-6-oxopyran-3-carboxylate.
Chemical Property Profile of 2H-Pyran-5-carboxylic acid, 4-methoxy-6-methyl-2-oxo-, methyl ester
Property Insights of 2H-Pyran-5-carboxylic acid, 4-methoxy-6-methyl-2-oxo-, methyl ester
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-Pyran-5-carboxylic acid, 4-methoxy-6-methyl-2-oxo-, methyl ester. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-Pyran-5-carboxylic acid, 4-methoxy-6-methyl-2-oxo-, methyl ester. Following Lipinski's Rule of Five, 2H-Pyran-5-carboxylic acid, 4-methoxy-6-methyl-2-oxo-, methyl ester has 0 hydrogen bond donor(s) and 5 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-methoxy-6-methyl-2-oxo-, methyl ester?
The CAS number of 2H-Pyran-5-carboxylic acid, 4-methoxy-6-methyl-2-oxo-, methyl ester is 668-40-6.
What is the molecular formula of 2H-Pyran-5-carboxylic acid, 4-methoxy-6-methyl-2-oxo-, methyl ester?
The molecular formula of 2H-Pyran-5-carboxylic acid, 4-methoxy-6-methyl-2-oxo-, methyl ester is C9H10O5.
What is the molecular weight of 2H-Pyran-5-carboxylic acid, 4-methoxy-6-methyl-2-oxo-, methyl ester?
The molecular weight of 2H-Pyran-5-carboxylic acid, 4-methoxy-6-methyl-2-oxo-, methyl ester is 198.05 g/mol.
Where can I buy 2H-Pyran-5-carboxylic acid, 4-methoxy-6-methyl-2-oxo-, methyl ester?
You can request a quote for 2H-Pyran-5-carboxylic acid, 4-methoxy-6-methyl-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-methoxy-6-methyl-2-oxo-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2H-Pyran-5-carboxylic acid, 4-methoxy-6-methyl-2-oxo-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.