Ethyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-enoate
TL;DR: Ethyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-enoate (CAS 91057-97-5) 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-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-enoate
Also Known As: ethyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-enoate, Ethyl (R)-cis-3-(2,2-dimethyl-1,3-dioxolan-4-yl)propenoate, (S,E)-Ethyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)acrylate, (S,Z)-Ethyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)acrylate, Ethyl (R)-cis-4,5-O-isopropylidene-4,5-dihydroxy-2-pentenoate
| Molecular Formula | C10H16O4 |
|---|---|
| Molecular Weight | 200.10 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 200.10486 |
| Heavy Atoms | 14 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 91057-97-5 |
|---|---|
| SMILES | CCOC(=O)C=CC1COC(O1)(C)C |
| InChIKey | GZVXALXOWVXZLH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-enoate (CAS 91057-97-5), with molecular formula C10H16O4 and molecular weight 200.10 g/mol. IUPAC: ethyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-enoate.
Chemical Property Profile of Ethyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-enoate
Property Insights of Ethyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-enoate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-enoate. With a topological polar surface area (TPSA) of 44.8 Ų, Ethyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-enoate 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 3-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-enoate?
The CAS number of Ethyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-enoate is 91057-97-5.
What is the molecular formula of Ethyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-enoate?
The molecular formula of Ethyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-enoate is C10H16O4.
What is the molecular weight of Ethyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-enoate?
The molecular weight of Ethyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-enoate is 200.10 g/mol.
Where can I buy Ethyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-enoate?
You can request a quote for Ethyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.