3-Hydroxy-2,2-dimethylpropyl methacrylate
TL;DR: 3-Hydroxy-2,2-dimethylpropyl methacrylate (CAS 13463-71-3) is a chemical compound with molecular formula C9H16O3 and molecular weight 172.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-hydroxy-2,2-dimethylpropyl) 2-methylprop-2-enoate
Also Known As: 3-Hydroxy-2,2-dimethylpropyl methacrylate, (3-hydroxy-2,2-dimethylpropyl) 2-methylprop-2-enoate, Methacrylic acid 3-hydroxy-2,2-dimethylpropyl ester, 3-HYDROXY-2,2-DIMETHYLPROPYL 2-METHYLPROP-2-ENOATE, 2-Propenoic acid,2-methyl-, 3-hydroxy-2,2-dimethylpropyl ester
| Molecular Formula | C9H16O3 |
|---|---|
| Molecular Weight | 172.11 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 172.10994 |
| Heavy Atoms | 12 |
| Complexity | 182.0 |
Chemical Identifiers
| CAS Number | 13463-71-3 |
|---|---|
| SMILES | CC(=C)C(=O)OCC(C)(C)CO |
| InChIKey | ONMLAAZEQUPQSE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Hydroxy-2,2-dimethylpropyl methacrylate (CAS 13463-71-3), with molecular formula C9H16O3 and molecular weight 172.11 g/mol. IUPAC: (3-hydroxy-2,2-dimethylpropyl) 2-methylprop-2-enoate.
Chemical Property Profile of 3-Hydroxy-2,2-dimethylpropyl methacrylate
Property Insights of 3-Hydroxy-2,2-dimethylpropyl methacrylate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxy-2,2-dimethylpropyl methacrylate. With a topological polar surface area (TPSA) of 46.5 Ų, 3-Hydroxy-2,2-dimethylpropyl methacrylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxy-2,2-dimethylpropyl methacrylate has 1 hydrogen bond donor(s) and 3 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 3-Hydroxy-2,2-dimethylpropyl methacrylate?
The CAS number of 3-Hydroxy-2,2-dimethylpropyl methacrylate is 13463-71-3.
What is the molecular formula of 3-Hydroxy-2,2-dimethylpropyl methacrylate?
The molecular formula of 3-Hydroxy-2,2-dimethylpropyl methacrylate is C9H16O3.
What is the molecular weight of 3-Hydroxy-2,2-dimethylpropyl methacrylate?
The molecular weight of 3-Hydroxy-2,2-dimethylpropyl methacrylate is 172.11 g/mol.
Where can I buy 3-Hydroxy-2,2-dimethylpropyl methacrylate?
You can request a quote for 3-Hydroxy-2,2-dimethylpropyl methacrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxy-2,2-dimethylpropyl methacrylate?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-2,2-dimethylpropyl methacrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.