Pivalophenone
TL;DR: Pivalophenone (CAS 938-16-9) is a chemical compound with molecular formula C11H14O and molecular weight 162.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethyl-1-phenylpropan-1-one
Also Known As: 2,2-Dimethylpropiophenone, Pivalophenone, 2,2-dimethyl-1-phenylpropan-1-one, 2,2,2-Trimethylacetophenone, Phenyl tert-butyl ketone
| Molecular Formula | C11H14O |
|---|---|
| Molecular Weight | 162.10 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 162.10446 |
| Heavy Atoms | 12 |
| Complexity | 158.0 |
Chemical Identifiers
| CAS Number | 938-16-9 |
|---|---|
| SMILES | CC(C)(C)C(=O)C1=CC=CC=C1 |
| InChIKey | OECPUBRNDKXFDX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pivalophenone (CAS 938-16-9), with molecular formula C11H14O and molecular weight 162.10 g/mol. IUPAC: 2,2-dimethyl-1-phenylpropan-1-one.
Chemical Property Profile of Pivalophenone
Property Insights of Pivalophenone
The XLogP value of 3.0 indicates that Pivalophenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, Pivalophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pivalophenone has 0 hydrogen bond donor(s) and 1 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 Pivalophenone?
The CAS number of Pivalophenone is 938-16-9.
What is the molecular formula of Pivalophenone?
The molecular formula of Pivalophenone is C11H14O.
What is the molecular weight of Pivalophenone?
The molecular weight of Pivalophenone is 162.10 g/mol.
Where can I buy Pivalophenone?
You can request a quote for Pivalophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pivalophenone?
Yes, KEHONG BIO provides custom synthesis services for Pivalophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.