Methyl 3-hydroxypivalate
TL;DR: Methyl 3-hydroxypivalate (CAS 14002-80-3) is a chemical compound with molecular formula C6H12O3 and molecular weight 132.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-hydroxy-2,2-dimethylpropanoate
Also Known As: Methyl 3-hydroxy-2,2-dimethylpropanoate, Hydroxypivalic Acid Methyl Ester, Methyl Hydroxypivalate, Methyl 3-hydroxypivalate, Methyl 2,2-dimethyl-3-hydroxypropionate
| Molecular Formula | C6H12O3 |
|---|---|
| Molecular Weight | 132.08 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 132.07864 |
| Heavy Atoms | 9 |
| Complexity | 107.0 |
Chemical Identifiers
| CAS Number | 14002-80-3 |
|---|---|
| SMILES | CC(C)(CO)C(=O)OC |
| InChIKey | KJRFTNVYOAGTHK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3-hydroxypivalate (CAS 14002-80-3), with molecular formula C6H12O3 and molecular weight 132.08 g/mol. IUPAC: methyl 3-hydroxy-2,2-dimethylpropanoate.
Chemical Property Profile of Methyl 3-hydroxypivalate
Property Insights of Methyl 3-hydroxypivalate
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-hydroxypivalate. With a topological polar surface area (TPSA) of 46.5 Ų, Methyl 3-hydroxypivalate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-hydroxypivalate 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 Methyl 3-hydroxypivalate?
The CAS number of Methyl 3-hydroxypivalate is 14002-80-3.
What is the molecular formula of Methyl 3-hydroxypivalate?
The molecular formula of Methyl 3-hydroxypivalate is C6H12O3.
What is the molecular weight of Methyl 3-hydroxypivalate?
The molecular weight of Methyl 3-hydroxypivalate is 132.08 g/mol.
Where can I buy Methyl 3-hydroxypivalate?
You can request a quote for Methyl 3-hydroxypivalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-hydroxypivalate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-hydroxypivalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.