2,2-Bis(hydroxymethyl)butyl 2-propenoate
TL;DR: 2,2-Bis(hydroxymethyl)butyl 2-propenoate (CAS 7024-08-0) is a chemical compound with molecular formula C9H16O4 and molecular weight 188.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-bis(hydroxymethyl)butyl prop-2-enoate
Also Known As: 2,2-Bis(hydroxymethyl)butyl acrylate, trimethylolpropane acrylate, 2,2-bis(hydroxymethyl)butyl prop-2-enoate, trimethylolpropane monoacrylate, 2,2-Bis(hydroxymethyl)butyl 2-propenoate
| Molecular Formula | C9H16O4 |
|---|---|
| Molecular Weight | 188.10 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 188.10486 |
| Heavy Atoms | 13 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 7024-08-0 |
|---|---|
| SMILES | CCC(CO)(CO)COC(=O)C=C |
| InChIKey | SYENVBKSVVOOPS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2-Bis(hydroxymethyl)butyl 2-propenoate (CAS 7024-08-0), with molecular formula C9H16O4 and molecular weight 188.10 g/mol. IUPAC: 2,2-bis(hydroxymethyl)butyl prop-2-enoate.
Chemical Property Profile of 2,2-Bis(hydroxymethyl)butyl 2-propenoate
Property Insights of 2,2-Bis(hydroxymethyl)butyl 2-propenoate
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Bis(hydroxymethyl)butyl 2-propenoate. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2-Bis(hydroxymethyl)butyl 2-propenoate. Following Lipinski's Rule of Five, 2,2-Bis(hydroxymethyl)butyl 2-propenoate has 2 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 2,2-Bis(hydroxymethyl)butyl 2-propenoate?
The CAS number of 2,2-Bis(hydroxymethyl)butyl 2-propenoate is 7024-08-0.
What is the molecular formula of 2,2-Bis(hydroxymethyl)butyl 2-propenoate?
The molecular formula of 2,2-Bis(hydroxymethyl)butyl 2-propenoate is C9H16O4.
What is the molecular weight of 2,2-Bis(hydroxymethyl)butyl 2-propenoate?
The molecular weight of 2,2-Bis(hydroxymethyl)butyl 2-propenoate is 188.10 g/mol.
Where can I buy 2,2-Bis(hydroxymethyl)butyl 2-propenoate?
You can request a quote for 2,2-Bis(hydroxymethyl)butyl 2-propenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Bis(hydroxymethyl)butyl 2-propenoate?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Bis(hydroxymethyl)butyl 2-propenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.