4-Propynoyl-2,6-di-tert-butylphenol
TL;DR: 4-Propynoyl-2,6-di-tert-butylphenol (CAS 113101-46-5) is a chemical compound with molecular formula C17H22O2 and molecular weight 258.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-yn-1-one
Also Known As: 4-propynoyl-2,6-di-tert-butylphenol, 1-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-yn-1-one, 1-(4-hydroxy-3,5-ditert-butyl-phenyl)prop-2-yn-1-one, 2-Propyn-1-one, 1-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-, 1-(3,5-DI-TERT-BUTYL-4-HYDROXYPHENYL)PROP-2-YN-1-ONE
| Molecular Formula | C17H22O2 |
|---|---|
| Molecular Weight | 258.16 g/mol |
| LogP | 3.8031 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 258.162 |
| Heavy Atoms | 19 |
| Complexity | 511.09064 |
Chemical Identifiers
| CAS Number | 113101-46-5 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)C#C |
Product Overview
4-Propynoyl-2,6-di-tert-butylphenol (CAS 113101-46-5), with molecular formula C17H22O2 and molecular weight 258.16 g/mol. IUPAC: 1-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-yn-1-one.
Chemical Property Profile of 4-Propynoyl-2,6-di-tert-butylphenol
Property Insights of 4-Propynoyl-2,6-di-tert-butylphenol
The XLogP value of 3.8031 indicates that 4-Propynoyl-2,6-di-tert-butylphenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 4-Propynoyl-2,6-di-tert-butylphenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Propynoyl-2,6-di-tert-butylphenol has 1 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 4-Propynoyl-2,6-di-tert-butylphenol?
The CAS number of 4-Propynoyl-2,6-di-tert-butylphenol is 113101-46-5.
What is the molecular formula of 4-Propynoyl-2,6-di-tert-butylphenol?
The molecular formula of 4-Propynoyl-2,6-di-tert-butylphenol is C17H22O2.
What is the molecular weight of 4-Propynoyl-2,6-di-tert-butylphenol?
The molecular weight of 4-Propynoyl-2,6-di-tert-butylphenol is 258.16 g/mol.
Where can I buy 4-Propynoyl-2,6-di-tert-butylphenol?
You can request a quote for 4-Propynoyl-2,6-di-tert-butylphenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Propynoyl-2,6-di-tert-butylphenol?
Yes, KEHONG BIO provides custom synthesis services for 4-Propynoyl-2,6-di-tert-butylphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.