星苹酯
TL;DR: 星苹酯 (CAS 6290-17-1) is a chemical compound with molecular formula C9H16O4 and molecular weight 188.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
星苹酯
ethyl 2-(2,4-dimethyl-1,3-dioxolan-2-yl)acetate
Also Known As: ethyl 2-(2,4-dimethyl-1,3-dioxolan-2-yl)acetate, Fraistone, fruity ketal, Ethyl acetoacetate propylene glycol ketal, Ethyl 2,4-dimethyl-1,3-dioxolane-2-acetate
| Molecular Formula | C9H16O4 |
|---|---|
| Molecular Weight | 188.10 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 188.10486 |
| Heavy Atoms | 13 |
| Complexity | 192.0 |
| Density | 1.048-1.054 |
| Solubility | Insoluble in water |
| Refractive Index | 1.422-1.432 |
Chemical Identifiers
| CAS Number | 6290-17-1 |
|---|---|
| SMILES | CCOC(=O)CC1(OCC(O1)C)C |
| InChIKey | GSIXJEIRJVOUFB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
星苹酯 (CAS 6290-17-1), with molecular formula C9H16O4 and molecular weight 188.10 g/mol. IUPAC: ethyl 2-(2,4-dimethyl-1,3-dioxolan-2-yl)acetate.
Chemical Property Profile of 星苹酯
Property Insights of 星苹酯
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 星苹酯. With a topological polar surface area (TPSA) of 44.8 Ų, 星苹酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 星苹酯 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 星苹酯?
The CAS number of 星苹酯 is 6290-17-1.
What is the molecular formula of 星苹酯?
The molecular formula of 星苹酯 is C9H16O4.
What is the molecular weight of 星苹酯?
The molecular weight of 星苹酯 is 188.10 g/mol.
Where can I buy 星苹酯?
You can request a quote for 星苹酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 星苹酯?
Yes, KEHONG BIO provides custom synthesis services for 星苹酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.