3-Buten-2-one, 4-(3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)-
TL;DR: 3-Buten-2-one, 4-(3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)- (CAS 36436-00-7) is a chemical compound with molecular formula C18H26O2 and molecular weight 274.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-(3,5-ditert-butyl-4-hydroxyphenyl)but-3-en-2-one
Also Known As: beta-Acetyl-3,5-di-tert-butyl-4-hydroxystyrene, J1.587.587I, 3-Buten-2-one, 4-(3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)-, 4-(3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenyl)-3-buten-2-one, 4-(3,5-di-tert-butyl-4-hydroxyphenyl)but-3-en-2-one
| Molecular Formula | C18H26O2 |
|---|---|
| Molecular Weight | 274.19 g/mol |
| LogP | 4.5894 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 274.19327 |
| Heavy Atoms | 20 |
| Complexity | 502.51227 |
Chemical Identifiers
| CAS Number | 36436-00-7 |
|---|---|
| SMILES | CC(=O)/C=C/C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C |
Product Overview
3-Buten-2-one, 4-(3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)- (CAS 36436-00-7), with molecular formula C18H26O2 and molecular weight 274.19 g/mol. IUPAC: (E)-4-(3,5-ditert-butyl-4-hydroxyphenyl)but-3-en-2-one.
Chemical Property Profile of 3-Buten-2-one, 4-(3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)-
Property Insights of 3-Buten-2-one, 4-(3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)-
The XLogP value of 4.5894 indicates that 3-Buten-2-one, 4-(3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Buten-2-one, 4-(3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Buten-2-one, 4-(3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)- 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 3-Buten-2-one, 4-(3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)-?
The CAS number of 3-Buten-2-one, 4-(3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)- is 36436-00-7.
What is the molecular formula of 3-Buten-2-one, 4-(3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)-?
The molecular formula of 3-Buten-2-one, 4-(3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)- is C18H26O2.
What is the molecular weight of 3-Buten-2-one, 4-(3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)-?
The molecular weight of 3-Buten-2-one, 4-(3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)- is 274.19 g/mol.
Where can I buy 3-Buten-2-one, 4-(3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)-?
You can request a quote for 3-Buten-2-one, 4-(3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Buten-2-one, 4-(3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 3-Buten-2-one, 4-(3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.