Ethyl (S)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)acrylate
TL;DR: Ethyl (S)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)acrylate (CAS 91926-90-8) is a chemical compound with molecular formula C10H16O4 and molecular weight 200.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
Also Known As: Ethyl (S)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)acrylate, (S,Z)-Ethyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)acrylate, Ethyl (2E)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)acrylate, Ethyl (S)-(+)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-propenoate, Ethyl (Z)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
| Molecular Formula | C10H16O4 |
|---|---|
| Molecular Weight | 200.10 g/mol |
| LogP | 1.2572 |
| Topological Polar Surface Area | 44.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 200.10486 |
| Heavy Atoms | 14 |
| Complexity | 232.2765 |
Chemical Identifiers
| CAS Number | 91926-90-8 |
|---|---|
| SMILES | CCOC(=O)C=C[C@H]1COC(O1)(C)C |
Product Overview
Ethyl (S)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)acrylate (CAS 91926-90-8), with molecular formula C10H16O4 and molecular weight 200.10 g/mol. IUPAC: ethyl 3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate.
Chemical Property Profile of Ethyl (S)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)acrylate
Property Insights of Ethyl (S)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)acrylate
The XLogP value of 1.2572 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (S)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)acrylate. With a topological polar surface area (TPSA) of 44.76 Ų, Ethyl (S)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)acrylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl (S)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)acrylate 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 (S)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)acrylate?
The CAS number of Ethyl (S)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)acrylate is 91926-90-8.
What is the molecular formula of Ethyl (S)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)acrylate?
The molecular formula of Ethyl (S)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)acrylate is C10H16O4.
What is the molecular weight of Ethyl (S)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)acrylate?
The molecular weight of Ethyl (S)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)acrylate is 200.10 g/mol.
Where can I buy Ethyl (S)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)acrylate?
You can request a quote for Ethyl (S)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)acrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl (S)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)acrylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (S)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.