![ethyl 2-[(2,6-dimethyl-2H-pyran-4-yl)sulfanyl]acetate structure](/static/products/762/7621-99-0.png)
ethyl 2-[(2,6-dimethyl-2H-pyran-4-yl)sulfanyl]acetate
TL;DR: ethyl 2-[(2,6-dimethyl-2H-pyran-4-yl)sulfanyl]acetate (CAS 7621-99-0) is a chemical compound with molecular formula C11H16O3S and molecular weight 228.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(2,6-dimethyl-2H-pyran-4-yl)sulfanyl]acetate
Also Known As: ethyl 2-[(2,6-dimethyl-2H-pyran-4-yl)sulfanyl]acetate, Ethyl [(2,6-dimethyl-2H-pyran-4-yl)sulfanyl]acetate
| Molecular Formula | C11H16O3S |
|---|---|
| Molecular Weight | 228.08 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 60.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 228.08202 |
| Heavy Atoms | 15 |
| Complexity | 294.0 |
Chemical Identifiers
| CAS Number | 7621-99-0 |
|---|---|
| SMILES | CCOC(=O)CSC1=CC(OC(=C1)C)C |
| InChIKey | VWLOVBFPAJXUQW-UHFFFAOYSA-N |
Product Overview
ethyl 2-[(2,6-dimethyl-2H-pyran-4-yl)sulfanyl]acetate (CAS 7621-99-0), with molecular formula C11H16O3S and molecular weight 228.08 g/mol. IUPAC: ethyl 2-[(2,6-dimethyl-2H-pyran-4-yl)sulfanyl]acetate.
Chemical Property Profile of ethyl 2-[(2,6-dimethyl-2H-pyran-4-yl)sulfanyl]acetate
Property Insights of ethyl 2-[(2,6-dimethyl-2H-pyran-4-yl)sulfanyl]acetate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-[(2,6-dimethyl-2H-pyran-4-yl)sulfanyl]acetate. The TPSA of 60.8 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-[(2,6-dimethyl-2H-pyran-4-yl)sulfanyl]acetate. Following Lipinski's Rule of Five, ethyl 2-[(2,6-dimethyl-2H-pyran-4-yl)sulfanyl]acetate 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-[(2,6-dimethyl-2H-pyran-4-yl)sulfanyl]acetate?
The CAS number of ethyl 2-[(2,6-dimethyl-2H-pyran-4-yl)sulfanyl]acetate is 7621-99-0.
What is the molecular formula of ethyl 2-[(2,6-dimethyl-2H-pyran-4-yl)sulfanyl]acetate?
The molecular formula of ethyl 2-[(2,6-dimethyl-2H-pyran-4-yl)sulfanyl]acetate is C11H16O3S.
What is the molecular weight of ethyl 2-[(2,6-dimethyl-2H-pyran-4-yl)sulfanyl]acetate?
The molecular weight of ethyl 2-[(2,6-dimethyl-2H-pyran-4-yl)sulfanyl]acetate is 228.08 g/mol.
Where can I buy ethyl 2-[(2,6-dimethyl-2H-pyran-4-yl)sulfanyl]acetate?
You can request a quote for ethyl 2-[(2,6-dimethyl-2H-pyran-4-yl)sulfanyl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-[(2,6-dimethyl-2H-pyran-4-yl)sulfanyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-[(2,6-dimethyl-2H-pyran-4-yl)sulfanyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.