Benzyl pivalate
TL;DR: Benzyl pivalate (CAS 2094-69-1) is a chemical compound with molecular formula C12H16O2 and molecular weight 192.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2,2-dimethylpropanoate
Also Known As: Benzyl pivalate, benzyl 2,2-dimethylpropanoate, benzyl pivaloate, Cbz-tBu, Benzyl pivalate #
| Molecular Formula | C12H16O2 |
|---|---|
| Molecular Weight | 192.12 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 192.11504 |
| Heavy Atoms | 14 |
| Complexity | 185.0 |
Chemical Identifiers
| CAS Number | 2094-69-1 |
|---|---|
| SMILES | CC(C)(C)C(=O)OCC1=CC=CC=C1 |
| InChIKey | QCFKLVCBTZKWGY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzyl pivalate (CAS 2094-69-1), with molecular formula C12H16O2 and molecular weight 192.12 g/mol. IUPAC: benzyl 2,2-dimethylpropanoate.
Chemical Property Profile of Benzyl pivalate
Property Insights of Benzyl pivalate
The XLogP value of 3.4 indicates that Benzyl pivalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Benzyl pivalate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl 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 Benzyl pivalate?
The CAS number of Benzyl pivalate is 2094-69-1.
What is the molecular formula of Benzyl pivalate?
The molecular formula of Benzyl pivalate is C12H16O2.
What is the molecular weight of Benzyl pivalate?
The molecular weight of Benzyl pivalate is 192.12 g/mol.
Where can I buy Benzyl pivalate?
You can request a quote for Benzyl pivalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl pivalate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl pivalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.