1-Cyclohexyl-4,4-diethoxy-2-butyn-1-one
TL;DR: 1-Cyclohexyl-4,4-diethoxy-2-butyn-1-one (CAS 55402-05-6) is a chemical compound with molecular formula C14H22O3 and molecular weight 238.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cyclohexyl-4,4-diethoxybut-2-yn-1-one
Also Known As: 1-Cyclohexyl-4,4-diethoxy-2-butyn-1-one, 1-cyclohexyl-4,4-diethoxybut-2-yn-1-one, 2-Butyn-1-one, 1-cyclohexyl-4,4-diethoxy-, 1-Cyclohexyl-4,4-diethoxy-2-butyn-1-one #
| Molecular Formula | C14H22O3 |
|---|---|
| Molecular Weight | 238.16 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 238.15689 |
| Heavy Atoms | 17 |
| Complexity | 285.0 |
Chemical Identifiers
| CAS Number | 55402-05-6 |
|---|---|
| SMILES | CCOC(C#CC(=O)C1CCCCC1)OCC |
| InChIKey | IQPHXIDQTBAIBE-UHFFFAOYSA-N |
Product Overview
1-Cyclohexyl-4,4-diethoxy-2-butyn-1-one (CAS 55402-05-6), with molecular formula C14H22O3 and molecular weight 238.16 g/mol. IUPAC: 1-cyclohexyl-4,4-diethoxybut-2-yn-1-one.
Chemical Property Profile of 1-Cyclohexyl-4,4-diethoxy-2-butyn-1-one
Property Insights of 1-Cyclohexyl-4,4-diethoxy-2-butyn-1-one
The XLogP value of 3.0 indicates that 1-Cyclohexyl-4,4-diethoxy-2-butyn-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 1-Cyclohexyl-4,4-diethoxy-2-butyn-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Cyclohexyl-4,4-diethoxy-2-butyn-1-one 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 1-Cyclohexyl-4,4-diethoxy-2-butyn-1-one?
The CAS number of 1-Cyclohexyl-4,4-diethoxy-2-butyn-1-one is 55402-05-6.
What is the molecular formula of 1-Cyclohexyl-4,4-diethoxy-2-butyn-1-one?
The molecular formula of 1-Cyclohexyl-4,4-diethoxy-2-butyn-1-one is C14H22O3.
What is the molecular weight of 1-Cyclohexyl-4,4-diethoxy-2-butyn-1-one?
The molecular weight of 1-Cyclohexyl-4,4-diethoxy-2-butyn-1-one is 238.16 g/mol.
Where can I buy 1-Cyclohexyl-4,4-diethoxy-2-butyn-1-one?
You can request a quote for 1-Cyclohexyl-4,4-diethoxy-2-butyn-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Cyclohexyl-4,4-diethoxy-2-butyn-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Cyclohexyl-4,4-diethoxy-2-butyn-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.