2-Propenoic acid, 2-methyl-, 1,1'-(2-ethyl-1-propyl-1,3-propanediyl) ester
TL;DR: 2-Propenoic acid, 2-methyl-, 1,1'-(2-ethyl-1-propyl-1,3-propanediyl) ester (CAS 67952-76-5) is a chemical compound with molecular formula C16H26O4 and molecular weight 282.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-ethyl-3-(2-methylprop-2-enoyloxy)hexyl] 2-methylprop-2-enoate
Also Known As: 2-Ethyl-1,3-hexanediol, dimethacrylate, 2-Ethyl-1-propyl-1,3-propanediyl bismethacrylate, 2-Ethylhexane-1,3-diyl bis(2-methylacrylate), 2-ethyl-1-propyl-1,3-propanediylbismethacrylate, 2-Propenoic acid, 2-methyl-, 2-ethyl-1-propyl-1,3-propanediyl ester
| Molecular Formula | C16H26O4 |
|---|---|
| Molecular Weight | 282.18 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 282.1831 |
| Heavy Atoms | 20 |
| Complexity | 371.0 |
Chemical Identifiers
| CAS Number | 67952-76-5 |
|---|---|
| SMILES | CCCC(C(CC)COC(=O)C(=C)C)OC(=O)C(=C)C |
| InChIKey | XCEMCGLOIBZVIY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Propenoic acid, 2-methyl-, 1,1'-(2-ethyl-1-propyl-1,3-propanediyl) ester (CAS 67952-76-5), with molecular formula C16H26O4 and molecular weight 282.18 g/mol. IUPAC: [2-ethyl-3-(2-methylprop-2-enoyloxy)hexyl] 2-methylprop-2-enoate.
Chemical Property Profile of 2-Propenoic acid, 2-methyl-, 1,1'-(2-ethyl-1-propyl-1,3-propanediyl) ester
Property Insights of 2-Propenoic acid, 2-methyl-, 1,1'-(2-ethyl-1-propyl-1,3-propanediyl) ester
The XLogP value of 4.4 indicates that 2-Propenoic acid, 2-methyl-, 1,1'-(2-ethyl-1-propyl-1,3-propanediyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 2-Propenoic acid, 2-methyl-, 1,1'-(2-ethyl-1-propyl-1,3-propanediyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propenoic acid, 2-methyl-, 1,1'-(2-ethyl-1-propyl-1,3-propanediyl) 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, 2-methyl-, 1,1'-(2-ethyl-1-propyl-1,3-propanediyl) ester?
The CAS number of 2-Propenoic acid, 2-methyl-, 1,1'-(2-ethyl-1-propyl-1,3-propanediyl) ester is 67952-76-5.
What is the molecular formula of 2-Propenoic acid, 2-methyl-, 1,1'-(2-ethyl-1-propyl-1,3-propanediyl) ester?
The molecular formula of 2-Propenoic acid, 2-methyl-, 1,1'-(2-ethyl-1-propyl-1,3-propanediyl) ester is C16H26O4.
What is the molecular weight of 2-Propenoic acid, 2-methyl-, 1,1'-(2-ethyl-1-propyl-1,3-propanediyl) ester?
The molecular weight of 2-Propenoic acid, 2-methyl-, 1,1'-(2-ethyl-1-propyl-1,3-propanediyl) ester is 282.18 g/mol.
Where can I buy 2-Propenoic acid, 2-methyl-, 1,1'-(2-ethyl-1-propyl-1,3-propanediyl) ester?
You can request a quote for 2-Propenoic acid, 2-methyl-, 1,1'-(2-ethyl-1-propyl-1,3-propanediyl) 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, 2-methyl-, 1,1'-(2-ethyl-1-propyl-1,3-propanediyl) ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic acid, 2-methyl-, 1,1'-(2-ethyl-1-propyl-1,3-propanediyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.