2,6-Ditert-butyl-4-(3-sulfanylpropyl)phenol
TL;DR: 2,6-Ditert-butyl-4-(3-sulfanylpropyl)phenol (CAS 71728-85-3) is a chemical compound with molecular formula C17H28OS and molecular weight 280.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-ditert-butyl-4-(3-sulfanylpropyl)phenol
Also Known As: 2,6-Ditert-butyl-4-(3-sulfanylpropyl)phenol, 2,6-Di-tert-butyl-4-(3-mercaptopropyl)phenol, J2.076.059A, 2,6-DI-TERT-BUTYL-4-(3-SULFANYLPROPYL)PHENOL, 2,6-Ditert-butyl-4-(3-sulfanylpropyl)phenol #
| Molecular Formula | C17H28OS |
|---|---|
| Molecular Weight | 280.19 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 21.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 280.1861 |
| Heavy Atoms | 19 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 71728-85-3 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCCS |
| InChIKey | QSHPCPMLQGJEAM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,6-Ditert-butyl-4-(3-sulfanylpropyl)phenol (CAS 71728-85-3), with molecular formula C17H28OS and molecular weight 280.19 g/mol. IUPAC: 2,6-ditert-butyl-4-(3-sulfanylpropyl)phenol.
Chemical Property Profile of 2,6-Ditert-butyl-4-(3-sulfanylpropyl)phenol
Property Insights of 2,6-Ditert-butyl-4-(3-sulfanylpropyl)phenol
The XLogP value of 5.8 indicates that 2,6-Ditert-butyl-4-(3-sulfanylpropyl)phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.2 Ų, 2,6-Ditert-butyl-4-(3-sulfanylpropyl)phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Ditert-butyl-4-(3-sulfanylpropyl)phenol has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,6-Ditert-butyl-4-(3-sulfanylpropyl)phenol?
The CAS number of 2,6-Ditert-butyl-4-(3-sulfanylpropyl)phenol is 71728-85-3.
What is the molecular formula of 2,6-Ditert-butyl-4-(3-sulfanylpropyl)phenol?
The molecular formula of 2,6-Ditert-butyl-4-(3-sulfanylpropyl)phenol is C17H28OS.
What is the molecular weight of 2,6-Ditert-butyl-4-(3-sulfanylpropyl)phenol?
The molecular weight of 2,6-Ditert-butyl-4-(3-sulfanylpropyl)phenol is 280.19 g/mol.
Where can I buy 2,6-Ditert-butyl-4-(3-sulfanylpropyl)phenol?
You can request a quote for 2,6-Ditert-butyl-4-(3-sulfanylpropyl)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Ditert-butyl-4-(3-sulfanylpropyl)phenol?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Ditert-butyl-4-(3-sulfanylpropyl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.