3-Tert-butyl-4-hydroxyphenyl hexanoate
TL;DR: 3-Tert-butyl-4-hydroxyphenyl hexanoate (CAS 723758-21-2) is a chemical compound with molecular formula C16H24O3 and molecular weight 264.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-tert-butyl-4-hydroxyphenyl) hexanoate
Also Known As: 3-tert-butyl-4-hydroxyphenyl hexanoate, (3-tert-butyl-4-hydroxyphenyl) hexanoate, AN-652/42190688
| Molecular Formula | C16H24O3 |
|---|---|
| Molecular Weight | 264.17 g/mol |
| LogP | 4.1754 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 264.17255 |
| Heavy Atoms | 19 |
| Complexity | 430.11044 |
Chemical Identifiers
| CAS Number | 723758-21-2 |
|---|---|
| SMILES | CCCCCC(=O)OC1=CC(=C(C=C1)O)C(C)(C)C |
Product Overview
3-Tert-butyl-4-hydroxyphenyl hexanoate (CAS 723758-21-2), with molecular formula C16H24O3 and molecular weight 264.17 g/mol. IUPAC: (3-tert-butyl-4-hydroxyphenyl) hexanoate.
Chemical Property Profile of 3-Tert-butyl-4-hydroxyphenyl hexanoate
Property Insights of 3-Tert-butyl-4-hydroxyphenyl hexanoate
The XLogP value of 4.1754 indicates that 3-Tert-butyl-4-hydroxyphenyl hexanoate 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 hexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Tert-butyl-4-hydroxyphenyl hexanoate 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 hexanoate?
The CAS number of 3-Tert-butyl-4-hydroxyphenyl hexanoate is 723758-21-2.
What is the molecular formula of 3-Tert-butyl-4-hydroxyphenyl hexanoate?
The molecular formula of 3-Tert-butyl-4-hydroxyphenyl hexanoate is C16H24O3.
What is the molecular weight of 3-Tert-butyl-4-hydroxyphenyl hexanoate?
The molecular weight of 3-Tert-butyl-4-hydroxyphenyl hexanoate is 264.17 g/mol.
Where can I buy 3-Tert-butyl-4-hydroxyphenyl hexanoate?
You can request a quote for 3-Tert-butyl-4-hydroxyphenyl hexanoate 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 hexanoate?
Yes, KEHONG BIO provides custom synthesis services for 3-Tert-butyl-4-hydroxyphenyl hexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.