![2-Butanone, 4-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]- structure](/static/products/5082/5082-72-4.webp)
2-Butanone, 4-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-
TL;DR: 2-Butanone, 4-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]- (CAS 5082-72-4) is a chemical compound with molecular formula C18H28O2 and molecular weight 276.21 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)butan-2-one
Also Known As: 4-(3,5-ditert-butyl-4-hydroxyphenyl)butan-2-one, Benzoic acid,4-methyl-,3-hydroxypropyl ester, 2-Butanone, 4-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-, 4-(3,5-di-t-butyl-4-hydroxy-phenyl)butanone-2, 4-(3,5-di-t-butyl-4-hydroxyphenyl) butane-2-one
| Molecular Formula | C18H28O2 |
|---|---|
| Molecular Weight | 276.21 g/mol |
| LogP | 4.5088 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 276.20892 |
| Heavy Atoms | 20 |
| Complexity | 464.12512 |
Chemical Identifiers
| CAS Number | 5082-72-4 |
|---|---|
| SMILES | CC(=O)CCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C |
Product Overview
2-Butanone, 4-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]- (CAS 5082-72-4), with molecular formula C18H28O2 and molecular weight 276.21 g/mol. IUPAC: 4-(3,5-ditert-butyl-4-hydroxyphenyl)butan-2-one.
Chemical Property Profile of 2-Butanone, 4-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-
Property Insights of 2-Butanone, 4-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-
The XLogP value of 4.5088 indicates that 2-Butanone, 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, 2-Butanone, 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, 2-Butanone, 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 2-Butanone, 4-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-?
The CAS number of 2-Butanone, 4-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]- is 5082-72-4.
What is the molecular formula of 2-Butanone, 4-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-?
The molecular formula of 2-Butanone, 4-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]- is C18H28O2.
What is the molecular weight of 2-Butanone, 4-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-?
The molecular weight of 2-Butanone, 4-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]- is 276.21 g/mol.
Where can I buy 2-Butanone, 4-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-?
You can request a quote for 2-Butanone, 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 2-Butanone, 4-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-?
Yes, KEHONG BIO provides custom synthesis services for 2-Butanone, 4-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.