Propyl 2-((3,5-di-tert-butyl-4-hydroxybenzyl)thio)acetate
TL;DR: Propyl 2-((3,5-di-tert-butyl-4-hydroxybenzyl)thio)acetate (CAS 327170-83-2) is a chemical compound with molecular formula C20H32O3S and molecular weight 352.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylsulfanyl]acetate
Also Known As: propyl 2-((3,5-di-tert-butyl-4-hydroxybenzyl)thio)acetate, propyl 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylsulfanyl]acetate
| Molecular Formula | C20H32O3S |
|---|---|
| Molecular Weight | 352.21 g/mol |
| LogP | 5.1736 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 352.2072 |
| Heavy Atoms | 24 |
| Complexity | 530.2223 |
Chemical Identifiers
| CAS Number | 327170-83-2 |
|---|---|
| SMILES | CCCOC(=O)CSCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C |
Product Overview
Propyl 2-((3,5-di-tert-butyl-4-hydroxybenzyl)thio)acetate (CAS 327170-83-2), with molecular formula C20H32O3S and molecular weight 352.21 g/mol. IUPAC: propyl 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylsulfanyl]acetate.
Chemical Property Profile of Propyl 2-((3,5-di-tert-butyl-4-hydroxybenzyl)thio)acetate
Property Insights of Propyl 2-((3,5-di-tert-butyl-4-hydroxybenzyl)thio)acetate
The XLogP value of 5.1736 indicates that Propyl 2-((3,5-di-tert-butyl-4-hydroxybenzyl)thio)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.53 Ų, Propyl 2-((3,5-di-tert-butyl-4-hydroxybenzyl)thio)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propyl 2-((3,5-di-tert-butyl-4-hydroxybenzyl)thio)acetate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Propyl 2-((3,5-di-tert-butyl-4-hydroxybenzyl)thio)acetate?
The CAS number of Propyl 2-((3,5-di-tert-butyl-4-hydroxybenzyl)thio)acetate is 327170-83-2.
What is the molecular formula of Propyl 2-((3,5-di-tert-butyl-4-hydroxybenzyl)thio)acetate?
The molecular formula of Propyl 2-((3,5-di-tert-butyl-4-hydroxybenzyl)thio)acetate is C20H32O3S.
What is the molecular weight of Propyl 2-((3,5-di-tert-butyl-4-hydroxybenzyl)thio)acetate?
The molecular weight of Propyl 2-((3,5-di-tert-butyl-4-hydroxybenzyl)thio)acetate is 352.21 g/mol.
Where can I buy Propyl 2-((3,5-di-tert-butyl-4-hydroxybenzyl)thio)acetate?
You can request a quote for Propyl 2-((3,5-di-tert-butyl-4-hydroxybenzyl)thio)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propyl 2-((3,5-di-tert-butyl-4-hydroxybenzyl)thio)acetate?
Yes, KEHONG BIO provides custom synthesis services for Propyl 2-((3,5-di-tert-butyl-4-hydroxybenzyl)thio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.