Ethyl 2,4-dimethyl-6-oxo-3,6-dihydro-2H-pyran-3-carboxylate
TL;DR: Ethyl 2,4-dimethyl-6-oxo-3,6-dihydro-2H-pyran-3-carboxylate (CAS 418783-95-6) is a chemical compound with molecular formula C10H14O4 and molecular weight 198.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,4-dimethyl-6-oxo-2,3-dihydropyran-3-carboxylate
Also Known As: Ethyl 2,4-dimethyl-6-oxo-2,3-dihydropyran-3-carboxylate, Ethyl 2,4-dimethyl-6-oxo-3,6-dihydro-2H-pyran-3-carboxylate, 2H-Pyran-3-carboxylic acid, 3,6-dihydro-2,4-dimethyl-6-oxo-, ethyl ester (9CI)
| Molecular Formula | C10H14O4 |
|---|---|
| Molecular Weight | 198.09 g/mol |
| LogP | 1.0573 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 198.0892 |
| Heavy Atoms | 14 |
| Complexity | 279.8466 |
Chemical Identifiers
| CAS Number | 418783-95-6 |
|---|---|
| SMILES | CCOC(=O)C1C(OC(=O)C=C1C)C |
Product Overview
Ethyl 2,4-dimethyl-6-oxo-3,6-dihydro-2H-pyran-3-carboxylate (CAS 418783-95-6), with molecular formula C10H14O4 and molecular weight 198.09 g/mol. IUPAC: ethyl 2,4-dimethyl-6-oxo-2,3-dihydropyran-3-carboxylate.
Chemical Property Profile of Ethyl 2,4-dimethyl-6-oxo-3,6-dihydro-2H-pyran-3-carboxylate
Property Insights of Ethyl 2,4-dimethyl-6-oxo-3,6-dihydro-2H-pyran-3-carboxylate
The XLogP value of 1.0573 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2,4-dimethyl-6-oxo-3,6-dihydro-2H-pyran-3-carboxylate. With a topological polar surface area (TPSA) of 52.6 Ų, Ethyl 2,4-dimethyl-6-oxo-3,6-dihydro-2H-pyran-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2,4-dimethyl-6-oxo-3,6-dihydro-2H-pyran-3-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 Ethyl 2,4-dimethyl-6-oxo-3,6-dihydro-2H-pyran-3-carboxylate?
The CAS number of Ethyl 2,4-dimethyl-6-oxo-3,6-dihydro-2H-pyran-3-carboxylate is 418783-95-6.
What is the molecular formula of Ethyl 2,4-dimethyl-6-oxo-3,6-dihydro-2H-pyran-3-carboxylate?
The molecular formula of Ethyl 2,4-dimethyl-6-oxo-3,6-dihydro-2H-pyran-3-carboxylate is C10H14O4.
What is the molecular weight of Ethyl 2,4-dimethyl-6-oxo-3,6-dihydro-2H-pyran-3-carboxylate?
The molecular weight of Ethyl 2,4-dimethyl-6-oxo-3,6-dihydro-2H-pyran-3-carboxylate is 198.09 g/mol.
Where can I buy Ethyl 2,4-dimethyl-6-oxo-3,6-dihydro-2H-pyran-3-carboxylate?
You can request a quote for Ethyl 2,4-dimethyl-6-oxo-3,6-dihydro-2H-pyran-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2,4-dimethyl-6-oxo-3,6-dihydro-2H-pyran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2,4-dimethyl-6-oxo-3,6-dihydro-2H-pyran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.