2-Propenoic acid, (5-ethyl-1,3-dioxan-5-yl)methyl ester
TL;DR: 2-Propenoic acid, (5-ethyl-1,3-dioxan-5-yl)methyl ester (CAS 189243-74-1) 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.
(5-ethyl-1,3-dioxan-5-yl)methyl prop-2-enoate
Also Known As: (5-Ethyl-1,3-dioxan-5-yl)methyl acrylate, Methylacrylate, (5-ethyl-1,3-dioxan-5-yl)methyl prop-2-enoate, 97% (stabilized with MEHQ), EC 266-380-7
| Molecular Formula | C10H16O4 |
|---|---|
| Molecular Weight | 200.10 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 200.10486 |
| Heavy Atoms | 14 |
| Complexity | 206.0 |
Chemical Identifiers
| CAS Number | 189243-74-1 |
|---|---|
| SMILES | CCC1(COCOC1)COC(=O)C=C |
| InChIKey | STGXUBIZGYMIRM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Propenoic acid, (5-ethyl-1,3-dioxan-5-yl)methyl ester (CAS 189243-74-1), with molecular formula C10H16O4 and molecular weight 200.10 g/mol. IUPAC: (5-ethyl-1,3-dioxan-5-yl)methyl prop-2-enoate.
Chemical Property Profile of 2-Propenoic acid, (5-ethyl-1,3-dioxan-5-yl)methyl ester
Property Insights of 2-Propenoic acid, (5-ethyl-1,3-dioxan-5-yl)methyl ester
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenoic acid, (5-ethyl-1,3-dioxan-5-yl)methyl ester. With a topological polar surface area (TPSA) of 44.8 Ų, 2-Propenoic acid, (5-ethyl-1,3-dioxan-5-yl)methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propenoic acid, (5-ethyl-1,3-dioxan-5-yl)methyl ester 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 2-Propenoic acid, (5-ethyl-1,3-dioxan-5-yl)methyl ester?
The CAS number of 2-Propenoic acid, (5-ethyl-1,3-dioxan-5-yl)methyl ester is 189243-74-1.
What is the molecular formula of 2-Propenoic acid, (5-ethyl-1,3-dioxan-5-yl)methyl ester?
The molecular formula of 2-Propenoic acid, (5-ethyl-1,3-dioxan-5-yl)methyl ester is C10H16O4.
What is the molecular weight of 2-Propenoic acid, (5-ethyl-1,3-dioxan-5-yl)methyl ester?
The molecular weight of 2-Propenoic acid, (5-ethyl-1,3-dioxan-5-yl)methyl ester is 200.10 g/mol.
Where can I buy 2-Propenoic acid, (5-ethyl-1,3-dioxan-5-yl)methyl ester?
You can request a quote for 2-Propenoic acid, (5-ethyl-1,3-dioxan-5-yl)methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propenoic acid, (5-ethyl-1,3-dioxan-5-yl)methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic acid, (5-ethyl-1,3-dioxan-5-yl)methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.