Trimethylolpropane diacrylate
TL;DR: Trimethylolpropane diacrylate (CAS 42380-76-7) is a chemical compound with molecular formula C12H18O5 and molecular weight 242.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(hydroxymethyl)-2-(prop-2-enoyloxymethyl)butyl] prop-2-enoate
Also Known As: Trimethylolpropane diacrylate, trimethylol-propane diacrylate, 1,1,1-tris(hydroxymethyl)propane diacrylate, 2-Ethyl-2-(hydroxymethyl)-1,3-propanediyl diacrylate, 2-Propenoic acid, 2-ethyl-2-(hydroxymethyl)-1,3-propanediyl ester
| Molecular Formula | C12H18O5 |
|---|---|
| Molecular Weight | 242.12 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 242.11542 |
| Heavy Atoms | 17 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 42380-76-7 |
|---|---|
| SMILES | CCC(CO)(COC(=O)C=C)COC(=O)C=C |
| InChIKey | TUOBEAZXHLTYLF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Trimethylolpropane diacrylate (CAS 42380-76-7), with molecular formula C12H18O5 and molecular weight 242.12 g/mol. IUPAC: [2-(hydroxymethyl)-2-(prop-2-enoyloxymethyl)butyl] prop-2-enoate.
Chemical Property Profile of Trimethylolpropane diacrylate
Property Insights of Trimethylolpropane diacrylate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trimethylolpropane diacrylate. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Trimethylolpropane diacrylate. Following Lipinski's Rule of Five, Trimethylolpropane diacrylate has 1 hydrogen bond donor(s) and 5 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 Trimethylolpropane diacrylate?
The CAS number of Trimethylolpropane diacrylate is 42380-76-7.
What is the molecular formula of Trimethylolpropane diacrylate?
The molecular formula of Trimethylolpropane diacrylate is C12H18O5.
What is the molecular weight of Trimethylolpropane diacrylate?
The molecular weight of Trimethylolpropane diacrylate is 242.12 g/mol.
Where can I buy Trimethylolpropane diacrylate?
You can request a quote for Trimethylolpropane diacrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trimethylolpropane diacrylate?
Yes, KEHONG BIO provides custom synthesis services for Trimethylolpropane diacrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.