5-(((4-(Tert-butyl)benzyl)sulfanyl)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione
TL;DR: 5-(((4-(Tert-butyl)benzyl)sulfanyl)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione (CAS 477866-46-9) is a chemical compound with molecular formula C18H22O4S and molecular weight 334.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-tert-butylphenyl)methylsulfanylmethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
Also Known As: 1L-387S, 5-(((4-(Tert-butyl)benzyl)sulfanyl)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione, 5-[(4-tert-butylphenyl)methylsulfanylmethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione, 5-({[(4-tert-butylphenyl)methyl]sulfanyl}methylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione, 5-({[4-(tert-butyl)benzyl]sulfanyl}methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione
| Molecular Formula | C18H22O4S |
|---|---|
| Molecular Weight | 334.12 g/mol |
| LogP | 3.9373 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 334.12387 |
| Heavy Atoms | 23 |
| Complexity | 613.9806 |
Chemical Identifiers
| CAS Number | 477866-46-9 |
|---|---|
| SMILES | CC1(OC(=O)C(=CSCC2=CC=C(C=C2)C(C)(C)C)C(=O)O1)C |
Product Overview
5-(((4-(Tert-butyl)benzyl)sulfanyl)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione (CAS 477866-46-9), with molecular formula C18H22O4S and molecular weight 334.12 g/mol. IUPAC: 5-[(4-tert-butylphenyl)methylsulfanylmethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione.
Chemical Property Profile of 5-(((4-(Tert-butyl)benzyl)sulfanyl)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione
Property Insights of 5-(((4-(Tert-butyl)benzyl)sulfanyl)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione
The XLogP value of 3.9373 indicates that 5-(((4-(Tert-butyl)benzyl)sulfanyl)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 5-(((4-(Tert-butyl)benzyl)sulfanyl)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(((4-(Tert-butyl)benzyl)sulfanyl)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione has 0 hydrogen bond donor(s) and 5 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 5-(((4-(Tert-butyl)benzyl)sulfanyl)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione?
The CAS number of 5-(((4-(Tert-butyl)benzyl)sulfanyl)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione is 477866-46-9.
What is the molecular formula of 5-(((4-(Tert-butyl)benzyl)sulfanyl)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione?
The molecular formula of 5-(((4-(Tert-butyl)benzyl)sulfanyl)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione is C18H22O4S.
What is the molecular weight of 5-(((4-(Tert-butyl)benzyl)sulfanyl)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione?
The molecular weight of 5-(((4-(Tert-butyl)benzyl)sulfanyl)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione is 334.12 g/mol.
Where can I buy 5-(((4-(Tert-butyl)benzyl)sulfanyl)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione?
You can request a quote for 5-(((4-(Tert-butyl)benzyl)sulfanyl)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(((4-(Tert-butyl)benzyl)sulfanyl)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-(((4-(Tert-butyl)benzyl)sulfanyl)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.