4-(3,5-Ditert-butyl-4-hydroxyphenyl)-3-methylbut-3-en-2-one
TL;DR: 4-(3,5-Ditert-butyl-4-hydroxyphenyl)-3-methylbut-3-en-2-one (CAS 83677-18-3) is a chemical compound with molecular formula C19H28O2 and molecular weight 288.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3,5-ditert-butyl-4-hydroxyphenyl)-3-methylbut-3-en-2-one
Also Known As: beta-Acetyl-beta-methyl-3,5-di-tert-butyl-4-hydroxystyrene, 4-(3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenyl)-3-methyl-3-buten-2-one, 3-Buten-2-one, 4-(3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)-3-methyl-
| Molecular Formula | C19H28O2 |
|---|---|
| Molecular Weight | 288.21 g/mol |
| LogP | 4.9795 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 288.20892 |
| Heavy Atoms | 21 |
| Complexity | 543.5595 |
Chemical Identifiers
| CAS Number | 83677-18-3 |
|---|---|
| SMILES | CC(=CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)C(=O)C |
Product Overview
4-(3,5-Ditert-butyl-4-hydroxyphenyl)-3-methylbut-3-en-2-one (CAS 83677-18-3), with molecular formula C19H28O2 and molecular weight 288.21 g/mol. IUPAC: 4-(3,5-ditert-butyl-4-hydroxyphenyl)-3-methylbut-3-en-2-one.
Chemical Property Profile of 4-(3,5-Ditert-butyl-4-hydroxyphenyl)-3-methylbut-3-en-2-one
Property Insights of 4-(3,5-Ditert-butyl-4-hydroxyphenyl)-3-methylbut-3-en-2-one
The XLogP value of 4.9795 indicates that 4-(3,5-Ditert-butyl-4-hydroxyphenyl)-3-methylbut-3-en-2-one 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-(3,5-Ditert-butyl-4-hydroxyphenyl)-3-methylbut-3-en-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3,5-Ditert-butyl-4-hydroxyphenyl)-3-methylbut-3-en-2-one 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-(3,5-Ditert-butyl-4-hydroxyphenyl)-3-methylbut-3-en-2-one?
The CAS number of 4-(3,5-Ditert-butyl-4-hydroxyphenyl)-3-methylbut-3-en-2-one is 83677-18-3.
What is the molecular formula of 4-(3,5-Ditert-butyl-4-hydroxyphenyl)-3-methylbut-3-en-2-one?
The molecular formula of 4-(3,5-Ditert-butyl-4-hydroxyphenyl)-3-methylbut-3-en-2-one is C19H28O2.
What is the molecular weight of 4-(3,5-Ditert-butyl-4-hydroxyphenyl)-3-methylbut-3-en-2-one?
The molecular weight of 4-(3,5-Ditert-butyl-4-hydroxyphenyl)-3-methylbut-3-en-2-one is 288.21 g/mol.
Where can I buy 4-(3,5-Ditert-butyl-4-hydroxyphenyl)-3-methylbut-3-en-2-one?
You can request a quote for 4-(3,5-Ditert-butyl-4-hydroxyphenyl)-3-methylbut-3-en-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3,5-Ditert-butyl-4-hydroxyphenyl)-3-methylbut-3-en-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(3,5-Ditert-butyl-4-hydroxyphenyl)-3-methylbut-3-en-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.