Isopropyl pivalate
TL;DR: Isopropyl pivalate (CAS 5129-36-2) is a chemical compound with molecular formula C8H16O2 and molecular weight 144.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2,2-dimethylpropanoate
Also Known As: Isopropyl pivalate, i-Propyl Pivalate, iso-Propyl pivalate, Fenofibrate Impurity 16, propan-2-yl 2,2-dimethylpropanoate
| Molecular Formula | C8H16O2 |
|---|---|
| Molecular Weight | 144.12 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 144.11504 |
| Heavy Atoms | 10 |
| Complexity | 120.0 |
Chemical Identifiers
| CAS Number | 5129-36-2 |
|---|---|
| SMILES | CC(C)OC(=O)C(C)(C)C |
| InChIKey | PMFKTHJAJBPRNM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isopropyl pivalate (CAS 5129-36-2), with molecular formula C8H16O2 and molecular weight 144.12 g/mol. IUPAC: propan-2-yl 2,2-dimethylpropanoate.
Chemical Property Profile of Isopropyl pivalate
Property Insights of Isopropyl pivalate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isopropyl pivalate. With a topological polar surface area (TPSA) of 26.3 Ų, Isopropyl pivalate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropyl 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 Isopropyl pivalate?
The CAS number of Isopropyl pivalate is 5129-36-2.
What is the molecular formula of Isopropyl pivalate?
The molecular formula of Isopropyl pivalate is C8H16O2.
What is the molecular weight of Isopropyl pivalate?
The molecular weight of Isopropyl pivalate is 144.12 g/mol.
Where can I buy Isopropyl pivalate?
You can request a quote for Isopropyl pivalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropyl pivalate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl pivalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.