1-(4-丁氧基-2,2,6,6-四甲基-3-环己烯-1-基)乙酮
TL;DR: 1-(4-丁氧基-2,2,6,6-四甲基-3-环己烯-1-基)乙酮 (CAS 16556-52-8) is a chemical compound with molecular formula C16H28O2 and molecular weight 252.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-丁氧基-2,2,6,6-四甲基-3-环己烯-1-基)乙酮
1-(4-butoxy-2,2,6,6-tetramethylcyclohex-3-en-1-yl)ethanone
Also Known As: 4-Acetyl-1-butyloxy-3,3,5,5-tetramethyl-1-cyclohexene, 1-(4-Butoxy-2,2,6,6-tetramethyl-3-cyclohexen-1-yl)ethan-1-one, 1-(4-butoxy-2,2,6,6-tetramethylcyclohex-3-en-1-yl)ethanone, Ethanone, 1-(4-butoxy-2,2,6,6-tetramethyl-3-cyclohexen-1-yl)-, 1-(4-butoxy-2,2,6,6-tetramethylcyclohex-3-en-1-yl)ethan-1-one
| Molecular Formula | C16H28O2 |
|---|---|
| Molecular Weight | 252.21 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 252.20892 |
| Heavy Atoms | 18 |
| Complexity | 337.0 |
Chemical Identifiers
| CAS Number | 16556-52-8 |
|---|---|
| SMILES | CCCCOC1=CC(C(C(C1)(C)C)C(=O)C)(C)C |
| InChIKey | CEFRLRCVISSIDU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(4-丁氧基-2,2,6,6-四甲基-3-环己烯-1-基)乙酮 (CAS 16556-52-8), with molecular formula C16H28O2 and molecular weight 252.21 g/mol. IUPAC: 1-(4-butoxy-2,2,6,6-tetramethylcyclohex-3-en-1-yl)ethanone.
Chemical Property Profile of 1-(4-丁氧基-2,2,6,6-四甲基-3-环己烯-1-基)乙酮
Property Insights of 1-(4-丁氧基-2,2,6,6-四甲基-3-环己烯-1-基)乙酮
The XLogP value of 4.1 indicates that 1-(4-丁氧基-2,2,6,6-四甲基-3-环己烯-1-基)乙酮 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 1-(4-丁氧基-2,2,6,6-四甲基-3-环己烯-1-基)乙酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-丁氧基-2,2,6,6-四甲基-3-环己烯-1-基)乙酮 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 1-(4-丁氧基-2,2,6,6-四甲基-3-环己烯-1-基)乙酮?
The CAS number of 1-(4-丁氧基-2,2,6,6-四甲基-3-环己烯-1-基)乙酮 is 16556-52-8.
What is the molecular formula of 1-(4-丁氧基-2,2,6,6-四甲基-3-环己烯-1-基)乙酮?
The molecular formula of 1-(4-丁氧基-2,2,6,6-四甲基-3-环己烯-1-基)乙酮 is C16H28O2.
What is the molecular weight of 1-(4-丁氧基-2,2,6,6-四甲基-3-环己烯-1-基)乙酮?
The molecular weight of 1-(4-丁氧基-2,2,6,6-四甲基-3-环己烯-1-基)乙酮 is 252.21 g/mol.
Where can I buy 1-(4-丁氧基-2,2,6,6-四甲基-3-环己烯-1-基)乙酮?
You can request a quote for 1-(4-丁氧基-2,2,6,6-四甲基-3-环己烯-1-基)乙酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-丁氧基-2,2,6,6-四甲基-3-环己烯-1-基)乙酮?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-丁氧基-2,2,6,6-四甲基-3-环己烯-1-基)乙酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.