ethyl (4-hydroxy-2,2-dimethyltetrahydro-2H-pyran-4-yl)acetate
TL;DR: ethyl (4-hydroxy-2,2-dimethyltetrahydro-2H-pyran-4-yl)acetate (CAS 57713-49-2) is a chemical compound with molecular formula C11H20O4 and molecular weight 216.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(4-hydroxy-2,2-dimethyloxan-4-yl)acetate
Also Known As: TimTec1_008412, BAS 00691046, AB00093431-01, ethyl 2-(4-hydroxy-2,2-dimethyloxan-4-yl)acetate, ethyl (4-hydroxy-2,2-dimethyltetrahydro-2H-pyran-4-yl)acetate
| Molecular Formula | C11H20O4 |
|---|---|
| Molecular Weight | 216.14 g/mol |
| LogP | 1.2597 |
| Topological Polar Surface Area | 55.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 216.13615 |
| Heavy Atoms | 15 |
| Complexity | 236.74242 |
Chemical Identifiers
| CAS Number | 57713-49-2 |
|---|---|
| SMILES | CCOC(=O)CC1(CCOC(C1)(C)C)O |
Product Overview
ethyl (4-hydroxy-2,2-dimethyltetrahydro-2H-pyran-4-yl)acetate (CAS 57713-49-2), with molecular formula C11H20O4 and molecular weight 216.14 g/mol. IUPAC: ethyl 2-(4-hydroxy-2,2-dimethyloxan-4-yl)acetate.
Chemical Property Profile of ethyl (4-hydroxy-2,2-dimethyltetrahydro-2H-pyran-4-yl)acetate
Property Insights of ethyl (4-hydroxy-2,2-dimethyltetrahydro-2H-pyran-4-yl)acetate
The XLogP value of 1.2597 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (4-hydroxy-2,2-dimethyltetrahydro-2H-pyran-4-yl)acetate. With a topological polar surface area (TPSA) of 55.76 Ų, ethyl (4-hydroxy-2,2-dimethyltetrahydro-2H-pyran-4-yl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl (4-hydroxy-2,2-dimethyltetrahydro-2H-pyran-4-yl)acetate has 1 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 (4-hydroxy-2,2-dimethyltetrahydro-2H-pyran-4-yl)acetate?
The CAS number of ethyl (4-hydroxy-2,2-dimethyltetrahydro-2H-pyran-4-yl)acetate is 57713-49-2.
What is the molecular formula of ethyl (4-hydroxy-2,2-dimethyltetrahydro-2H-pyran-4-yl)acetate?
The molecular formula of ethyl (4-hydroxy-2,2-dimethyltetrahydro-2H-pyran-4-yl)acetate is C11H20O4.
What is the molecular weight of ethyl (4-hydroxy-2,2-dimethyltetrahydro-2H-pyran-4-yl)acetate?
The molecular weight of ethyl (4-hydroxy-2,2-dimethyltetrahydro-2H-pyran-4-yl)acetate is 216.14 g/mol.
Where can I buy ethyl (4-hydroxy-2,2-dimethyltetrahydro-2H-pyran-4-yl)acetate?
You can request a quote for ethyl (4-hydroxy-2,2-dimethyltetrahydro-2H-pyran-4-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl (4-hydroxy-2,2-dimethyltetrahydro-2H-pyran-4-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (4-hydroxy-2,2-dimethyltetrahydro-2H-pyran-4-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.