2,4-Di-tert-butyl-6-(4-methylbenzene-1-sulfinyl)phenol
TL;DR: 2,4-Di-tert-butyl-6-(4-methylbenzene-1-sulfinyl)phenol (CAS 64791-01-1) is a chemical compound with molecular formula C21H28O2S and molecular weight 344.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-ditert-butyl-6-(4-methylphenyl)sulfinylphenol
Also Known As: 2,4-ditert-butyl-6-(4-methylphenyl)sulfinylphenol, 2,4-Di-tert-butyl-6-(4-methylbenzene-1-sulfinyl)phenol
| Molecular Formula | C21H28O2S |
|---|---|
| Molecular Weight | 344.18 g/mol |
| LogP | 6.6 |
| Topological Polar Surface Area | 56.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 344.181 |
| Heavy Atoms | 24 |
| Complexity | 438.0 |
Chemical Identifiers
| CAS Number | 64791-01-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)C2=CC(=CC(=C2O)C(C)(C)C)C(C)(C)C |
| InChIKey | XNLDYGWTRFEJLC-UHFFFAOYSA-N |
Product Overview
2,4-Di-tert-butyl-6-(4-methylbenzene-1-sulfinyl)phenol (CAS 64791-01-1), with molecular formula C21H28O2S and molecular weight 344.18 g/mol. IUPAC: 2,4-ditert-butyl-6-(4-methylphenyl)sulfinylphenol.
Chemical Property Profile of 2,4-Di-tert-butyl-6-(4-methylbenzene-1-sulfinyl)phenol
Property Insights of 2,4-Di-tert-butyl-6-(4-methylbenzene-1-sulfinyl)phenol
The XLogP value of 6.6 indicates that 2,4-Di-tert-butyl-6-(4-methylbenzene-1-sulfinyl)phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.5 Ų, 2,4-Di-tert-butyl-6-(4-methylbenzene-1-sulfinyl)phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Di-tert-butyl-6-(4-methylbenzene-1-sulfinyl)phenol has 1 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 2,4-Di-tert-butyl-6-(4-methylbenzene-1-sulfinyl)phenol?
The CAS number of 2,4-Di-tert-butyl-6-(4-methylbenzene-1-sulfinyl)phenol is 64791-01-1.
What is the molecular formula of 2,4-Di-tert-butyl-6-(4-methylbenzene-1-sulfinyl)phenol?
The molecular formula of 2,4-Di-tert-butyl-6-(4-methylbenzene-1-sulfinyl)phenol is C21H28O2S.
What is the molecular weight of 2,4-Di-tert-butyl-6-(4-methylbenzene-1-sulfinyl)phenol?
The molecular weight of 2,4-Di-tert-butyl-6-(4-methylbenzene-1-sulfinyl)phenol is 344.18 g/mol.
Where can I buy 2,4-Di-tert-butyl-6-(4-methylbenzene-1-sulfinyl)phenol?
You can request a quote for 2,4-Di-tert-butyl-6-(4-methylbenzene-1-sulfinyl)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Di-tert-butyl-6-(4-methylbenzene-1-sulfinyl)phenol?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Di-tert-butyl-6-(4-methylbenzene-1-sulfinyl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.