Ethanone, 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-, (S)-
TL;DR: Ethanone, 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-, (S)- (CAS 99566-52-6) is a chemical compound with molecular formula C7H12O3 and molecular weight 144.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone
Also Known As: Ethanone, 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-, (S)-, 1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone, (S)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)ethanone, 1-[(4S)-2,2-Dimethyl-1,3-dioxolan-4-yl]ethan-1-one, RefChem:341011
| Molecular Formula | C7H12O3 |
|---|---|
| Molecular Weight | 144.08 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 144.07864 |
| Heavy Atoms | 10 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 99566-52-6 |
|---|---|
| SMILES | CC(=O)[C@@H]1COC(O1)(C)C |
| InChIKey | VNEBKVJPKDAIIM-LURJTMIESA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethanone, 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-, (S)- (CAS 99566-52-6), with molecular formula C7H12O3 and molecular weight 144.08 g/mol. IUPAC: 1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone.
Chemical Property Profile of Ethanone, 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-, (S)-
Property Insights of Ethanone, 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-, (S)-
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanone, 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-, (S)-. With a topological polar surface area (TPSA) of 35.5 Ų, Ethanone, 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-, (S)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanone, 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-, (S)- has 0 hydrogen bond donor(s) and 3 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 Ethanone, 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-, (S)-?
The CAS number of Ethanone, 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-, (S)- is 99566-52-6.
What is the molecular formula of Ethanone, 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-, (S)-?
The molecular formula of Ethanone, 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-, (S)- is C7H12O3.
What is the molecular weight of Ethanone, 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-, (S)-?
The molecular weight of Ethanone, 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-, (S)- is 144.08 g/mol.
Where can I buy Ethanone, 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-, (S)-?
You can request a quote for Ethanone, 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-, (S)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanone, 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-, (S)-?
Yes, KEHONG BIO provides custom synthesis services for Ethanone, 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-, (S)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.