2,2-Di-sec-butoxyacetophenone
TL;DR: 2,2-Di-sec-butoxyacetophenone (CAS 68109-57-9) is a chemical compound with molecular formula C16H24O3 and molecular weight 264.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-di(butan-2-yloxy)-1-phenylethanone
Also Known As: 2,2-Di-sec-butoxyacetophenone, 2,2-Di(sec-butoxy)acetophenone, 2,2-di(butan-2-yloxy)-1-phenylethanone, 2,2-di-s-butoxyacetophenone, Ethanone, 2,2-bis(1-methylpropoxy)-1-phenyl-
| Molecular Formula | C16H24O3 |
|---|---|
| Molecular Weight | 264.17 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 264.17255 |
| Heavy Atoms | 19 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 68109-57-9 |
|---|---|
| SMILES | CCC(C)OC(C(=O)C1=CC=CC=C1)OC(C)CC |
| InChIKey | OHQSQCACEXDHAJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2-Di-sec-butoxyacetophenone (CAS 68109-57-9), with molecular formula C16H24O3 and molecular weight 264.17 g/mol. IUPAC: 2,2-di(butan-2-yloxy)-1-phenylethanone.
Chemical Property Profile of 2,2-Di-sec-butoxyacetophenone
Property Insights of 2,2-Di-sec-butoxyacetophenone
The XLogP value of 4.1 indicates that 2,2-Di-sec-butoxyacetophenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 2,2-Di-sec-butoxyacetophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Di-sec-butoxyacetophenone has 0 hydrogen bond donor(s) and 3 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 2,2-Di-sec-butoxyacetophenone?
The CAS number of 2,2-Di-sec-butoxyacetophenone is 68109-57-9.
What is the molecular formula of 2,2-Di-sec-butoxyacetophenone?
The molecular formula of 2,2-Di-sec-butoxyacetophenone is C16H24O3.
What is the molecular weight of 2,2-Di-sec-butoxyacetophenone?
The molecular weight of 2,2-Di-sec-butoxyacetophenone is 264.17 g/mol.
Where can I buy 2,2-Di-sec-butoxyacetophenone?
You can request a quote for 2,2-Di-sec-butoxyacetophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Di-sec-butoxyacetophenone?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Di-sec-butoxyacetophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.