2-(3,5-Di(tert-butyl)phenoxy)benzothiazole
TL;DR: 2-(3,5-Di(tert-butyl)phenoxy)benzothiazole (CAS 84696-65-1) is a chemical compound with molecular formula C21H25NOS and molecular weight 339.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,5-ditert-butylphenoxy)-1,3-benzothiazole
Also Known As: EINECS 283-670-9, 2-(3,5-Di(tert-butyl)phenoxy)benzothiazole, 2-(3,5-ditert-butylphenoxy)-1,3-benzothiazole, 2-[3,5-di(tert-butyl)phenoxy]benzothiazole, 2-[3,5-di-(tert-Butyl)phenoxy]benzothiazole
| Molecular Formula | C21H25NOS |
|---|---|
| Molecular Weight | 339.17 g/mol |
| LogP | 6.6836 |
| Topological Polar Surface Area | 22.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 339.16568 |
| Heavy Atoms | 24 |
| Complexity | 800.1615 |
Chemical Identifiers
| CAS Number | 84696-65-1 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC(=C1)OC2=NC3=CC=CC=C3S2)C(C)(C)C |
Product Overview
2-(3,5-Di(tert-butyl)phenoxy)benzothiazole (CAS 84696-65-1), with molecular formula C21H25NOS and molecular weight 339.17 g/mol. IUPAC: 2-(3,5-ditert-butylphenoxy)-1,3-benzothiazole.
Chemical Property Profile of 2-(3,5-Di(tert-butyl)phenoxy)benzothiazole
Property Insights of 2-(3,5-Di(tert-butyl)phenoxy)benzothiazole
The XLogP value of 6.6836 indicates that 2-(3,5-Di(tert-butyl)phenoxy)benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 22.12 Ų, 2-(3,5-Di(tert-butyl)phenoxy)benzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3,5-Di(tert-butyl)phenoxy)benzothiazole has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(3,5-Di(tert-butyl)phenoxy)benzothiazole?
The CAS number of 2-(3,5-Di(tert-butyl)phenoxy)benzothiazole is 84696-65-1.
What is the molecular formula of 2-(3,5-Di(tert-butyl)phenoxy)benzothiazole?
The molecular formula of 2-(3,5-Di(tert-butyl)phenoxy)benzothiazole is C21H25NOS.
What is the molecular weight of 2-(3,5-Di(tert-butyl)phenoxy)benzothiazole?
The molecular weight of 2-(3,5-Di(tert-butyl)phenoxy)benzothiazole is 339.17 g/mol.
Where can I buy 2-(3,5-Di(tert-butyl)phenoxy)benzothiazole?
You can request a quote for 2-(3,5-Di(tert-butyl)phenoxy)benzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3,5-Di(tert-butyl)phenoxy)benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,5-Di(tert-butyl)phenoxy)benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.