Ethyl 2,2-dimethyl-4-oxo-3,4-dihydro-2h-pyran-6-carboxylate
TL;DR: Ethyl 2,2-dimethyl-4-oxo-3,4-dihydro-2h-pyran-6-carboxylate (CAS 6322-17-4) 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 2,2-dimethyl-4-oxo-3H-pyran-6-carboxylate
Also Known As: ethyl 2,2-dimethyl-4-oxo-3H-pyran-6-carboxylate, ethyl 2,2-dimethyl-4-oxo-3,4-dihydro-2h-pyran-6-carboxylate, 2H-Pyran-6-carboxylicacid, 3,4-dihydro-2,2-dimethyl-4-oxo-, ethyl ester
| Molecular Formula | C10H14O4 |
|---|---|
| Molecular Weight | 198.09 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 198.0892 |
| Heavy Atoms | 14 |
| Complexity | 288.0 |
Chemical Identifiers
| CAS Number | 6322-17-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=O)CC(O1)(C)C |
| InChIKey | XNMFBVRJDPJTDH-UHFFFAOYSA-N |
Product Overview
Ethyl 2,2-dimethyl-4-oxo-3,4-dihydro-2h-pyran-6-carboxylate (CAS 6322-17-4), with molecular formula C10H14O4 and molecular weight 198.09 g/mol. IUPAC: ethyl 2,2-dimethyl-4-oxo-3H-pyran-6-carboxylate.
Chemical Property Profile of Ethyl 2,2-dimethyl-4-oxo-3,4-dihydro-2h-pyran-6-carboxylate
Property Insights of Ethyl 2,2-dimethyl-4-oxo-3,4-dihydro-2h-pyran-6-carboxylate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2,2-dimethyl-4-oxo-3,4-dihydro-2h-pyran-6-carboxylate. With a topological polar surface area (TPSA) of 52.6 Ų, Ethyl 2,2-dimethyl-4-oxo-3,4-dihydro-2h-pyran-6-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2,2-dimethyl-4-oxo-3,4-dihydro-2h-pyran-6-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 2,2-dimethyl-4-oxo-3,4-dihydro-2h-pyran-6-carboxylate?
The CAS number of Ethyl 2,2-dimethyl-4-oxo-3,4-dihydro-2h-pyran-6-carboxylate is 6322-17-4.
What is the molecular formula of Ethyl 2,2-dimethyl-4-oxo-3,4-dihydro-2h-pyran-6-carboxylate?
The molecular formula of Ethyl 2,2-dimethyl-4-oxo-3,4-dihydro-2h-pyran-6-carboxylate is C10H14O4.
What is the molecular weight of Ethyl 2,2-dimethyl-4-oxo-3,4-dihydro-2h-pyran-6-carboxylate?
The molecular weight of Ethyl 2,2-dimethyl-4-oxo-3,4-dihydro-2h-pyran-6-carboxylate is 198.09 g/mol.
Where can I buy Ethyl 2,2-dimethyl-4-oxo-3,4-dihydro-2h-pyran-6-carboxylate?
You can request a quote for Ethyl 2,2-dimethyl-4-oxo-3,4-dihydro-2h-pyran-6-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2,2-dimethyl-4-oxo-3,4-dihydro-2h-pyran-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2,2-dimethyl-4-oxo-3,4-dihydro-2h-pyran-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.