3-Tert-butyl-4-hydroxyphenyl 2-ethylhexanoate
TL;DR: 3-Tert-butyl-4-hydroxyphenyl 2-ethylhexanoate (CAS 723758-52-9) is a chemical compound with molecular formula C18H28O3 and molecular weight 292.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-tert-butyl-4-hydroxyphenyl) 2-ethylhexanoate
Also Known As: 3-tert-butyl-4-hydroxyphenyl 2-ethylhexanoate, (3-tert-butyl-4-hydroxyphenyl) 2-ethylhexanoate, AN-652/42190814, (3-tert-butyl-4-oxidanyl-phenyl) 2-ethylhexanoate, 2-ethylhexanoic acid (3-tert-butyl-4-hydroxy-phenyl) ester
| Molecular Formula | C18H28O3 |
|---|---|
| Molecular Weight | 292.20 g/mol |
| LogP | 4.8115 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 292.20386 |
| Heavy Atoms | 21 |
| Complexity | 471.84204 |
Chemical Identifiers
| CAS Number | 723758-52-9 |
|---|---|
| SMILES | CCCCC(CC)C(=O)OC1=CC(=C(C=C1)O)C(C)(C)C |
Product Overview
3-Tert-butyl-4-hydroxyphenyl 2-ethylhexanoate (CAS 723758-52-9), with molecular formula C18H28O3 and molecular weight 292.20 g/mol. IUPAC: (3-tert-butyl-4-hydroxyphenyl) 2-ethylhexanoate.
Chemical Property Profile of 3-Tert-butyl-4-hydroxyphenyl 2-ethylhexanoate
Property Insights of 3-Tert-butyl-4-hydroxyphenyl 2-ethylhexanoate
The XLogP value of 4.8115 indicates that 3-Tert-butyl-4-hydroxyphenyl 2-ethylhexanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.53 Ų, 3-Tert-butyl-4-hydroxyphenyl 2-ethylhexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Tert-butyl-4-hydroxyphenyl 2-ethylhexanoate has 1 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 3-Tert-butyl-4-hydroxyphenyl 2-ethylhexanoate?
The CAS number of 3-Tert-butyl-4-hydroxyphenyl 2-ethylhexanoate is 723758-52-9.
What is the molecular formula of 3-Tert-butyl-4-hydroxyphenyl 2-ethylhexanoate?
The molecular formula of 3-Tert-butyl-4-hydroxyphenyl 2-ethylhexanoate is C18H28O3.
What is the molecular weight of 3-Tert-butyl-4-hydroxyphenyl 2-ethylhexanoate?
The molecular weight of 3-Tert-butyl-4-hydroxyphenyl 2-ethylhexanoate is 292.20 g/mol.
Where can I buy 3-Tert-butyl-4-hydroxyphenyl 2-ethylhexanoate?
You can request a quote for 3-Tert-butyl-4-hydroxyphenyl 2-ethylhexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Tert-butyl-4-hydroxyphenyl 2-ethylhexanoate?
Yes, KEHONG BIO provides custom synthesis services for 3-Tert-butyl-4-hydroxyphenyl 2-ethylhexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.