Methyl pivaloylacetate
TL;DR: Methyl pivaloylacetate (CAS 55107-14-7) is a chemical compound with molecular formula C8H14O3 and molecular weight 158.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4,4-dimethyl-3-oxopentanoate
Also Known As: Methyl pivaloylacetate, Methyl 4,4-dimethyl-3-oxopentanoate, Methyl 4,4-dimethyl-3-oxovalerate, Methylpivaloylacetate, Pivaloylacetic Acid Methyl Ester
| Molecular Formula | C8H14O3 |
|---|---|
| Molecular Weight | 158.09 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 158.0943 |
| Heavy Atoms | 11 |
| Complexity | 165.0 |
Chemical Identifiers
| CAS Number | 55107-14-7 |
|---|---|
| SMILES | CC(C)(C)C(=O)CC(=O)OC |
| InChIKey | XTXCFTMJPRXBBC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl pivaloylacetate (CAS 55107-14-7), with molecular formula C8H14O3 and molecular weight 158.09 g/mol. IUPAC: methyl 4,4-dimethyl-3-oxopentanoate.
Chemical Property Profile of Methyl pivaloylacetate
Property Insights of Methyl pivaloylacetate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl pivaloylacetate. With a topological polar surface area (TPSA) of 43.4 Ų, Methyl pivaloylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl pivaloylacetate has 0 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 pivaloylacetate?
The CAS number of Methyl pivaloylacetate is 55107-14-7.
What is the molecular formula of Methyl pivaloylacetate?
The molecular formula of Methyl pivaloylacetate is C8H14O3.
What is the molecular weight of Methyl pivaloylacetate?
The molecular weight of Methyl pivaloylacetate is 158.09 g/mol.
Where can I buy Methyl pivaloylacetate?
You can request a quote for Methyl pivaloylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl pivaloylacetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl pivaloylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.