Pivalate
TL;DR: Pivalate (CAS 29650-96-2) is a chemical compound with molecular formula C5H9O2- and molecular weight 101.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethylpropanoate
Also Known As: Pivalate, 2,2-dimethylpropanoate, neopentanoate, Pivalic acid, pivaloate
| Molecular Formula | C5H9O2- |
|---|---|
| Molecular Weight | 101.06 g/mol |
| LogP | -0.2176 |
| Topological Polar Surface Area | 40.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 101.06026 |
| Heavy Atoms | 7 |
| Complexity | 78.57117 |
Chemical Identifiers
| CAS Number | 29650-96-2 |
|---|---|
| SMILES | CC(C)(C)C(=O)[O-] |
Product Overview
Pivalate (CAS 29650-96-2), with molecular formula C5H9O2- and molecular weight 101.06 g/mol. IUPAC: 2,2-dimethylpropanoate.
Chemical Property Profile of Pivalate
Property Insights of Pivalate
The XLogP value of -0.2176 indicates that Pivalate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.13 Ų, Pivalate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pivalate has 0 hydrogen bond donor(s) and 2 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 Pivalate?
The CAS number of Pivalate is 29650-96-2.
What is the molecular formula of Pivalate?
The molecular formula of Pivalate is C5H9O2-.
What is the molecular weight of Pivalate?
The molecular weight of Pivalate is 101.06 g/mol.
Where can I buy Pivalate?
You can request a quote for Pivalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pivalate?
Yes, KEHONG BIO provides custom synthesis services for Pivalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.