p-tert-Butylacetophenone
TL;DR: p-tert-Butylacetophenone (CAS 943-27-1) is a chemical compound with molecular formula C12H16O and molecular weight 176.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-tert-butylphenyl)ethanone
Also Known As: 4'-tert-Butylacetophenone, 1-(4-tert-Butylphenyl)ethanone, 4-tert-Butylacetophenone, p-tert-Butylacetophenone, 1-(4-(tert-Butyl)phenyl)ethanone
| Molecular Formula | C12H16O |
|---|---|
| Molecular Weight | 176.12 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 176.12012 |
| Heavy Atoms | 13 |
| Complexity | 180.0 |
Chemical Identifiers
| CAS Number | 943-27-1 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)C(C)(C)C |
| InChIKey | UYFJYGWNYQCHOB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
p-tert-Butylacetophenone (CAS 943-27-1), with molecular formula C12H16O and molecular weight 176.12 g/mol. IUPAC: 1-(4-tert-butylphenyl)ethanone.
Chemical Property Profile of p-tert-Butylacetophenone
Property Insights of p-tert-Butylacetophenone
The XLogP value of 3.4 indicates that p-tert-Butylacetophenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, p-tert-Butylacetophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-tert-Butylacetophenone 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 p-tert-Butylacetophenone?
The CAS number of p-tert-Butylacetophenone is 943-27-1.
What is the molecular formula of p-tert-Butylacetophenone?
The molecular formula of p-tert-Butylacetophenone is C12H16O.
What is the molecular weight of p-tert-Butylacetophenone?
The molecular weight of p-tert-Butylacetophenone is 176.12 g/mol.
Where can I buy p-tert-Butylacetophenone?
You can request a quote for p-tert-Butylacetophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-tert-Butylacetophenone?
Yes, KEHONG BIO provides custom synthesis services for p-tert-Butylacetophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.