Butyric acid, 2-((2,3,5,6-tetramethylphenyl)thio)-, ethyl ester
TL;DR: Butyric acid, 2-((2,3,5,6-tetramethylphenyl)thio)-, ethyl ester (CAS 72462-76-1) is a chemical compound with molecular formula C16H24O2S and molecular weight 280.1497 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-(2,3,5,6-tetramethylphenyl)sulfanylbutanoate
Also Known As: 2-((2,3,5,6-Tetramethylphenyl)thio)butyric acid ethyl ester, BUTYRIC ACID, 2-((2,3,5,6-TETRAMETHYLPHENYL)THIO)-, ETHYL ESTER, ethyl 2-[(2,3,5,6-tetramethylphenyl)sulfanyl]butanoate, ethyl 2-(2,3,5,6-tetramethylphenyl)sulfanylbutanoate, 2-[(2,3,5,6-Tetramethylphenyl)thio]butyric acid ethyl ester
Technical Specifications
| Molecular Formula | C16H24O2S |
| Molecular Weight | 280.1497 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 280.1497 Da |
| Heavy Atoms | 19 |
| Complexity | 278.0 |
| SMILES | CCC(C(=O)OCC)SC1=C(C(=CC(=C1C)C)C)C |
| InChIKey | WOIDZQLOMMXDKB-UHFFFAOYSA-N |
Chemical Property Profile of Butyric acid, 2-((2,3,5,6-tetramethylphenyl)thio)-, ethyl ester
Property Insights of Butyric acid, 2-((2,3,5,6-tetramethylphenyl)thio)-, ethyl ester
The XLogP value of 5.1 indicates that Butyric acid, 2-((2,3,5,6-tetramethylphenyl)thio)-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.6 Ų, Butyric acid, 2-((2,3,5,6-tetramethylphenyl)thio)-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyric acid, 2-((2,3,5,6-tetramethylphenyl)thio)-, ethyl ester has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Butyric acid, 2-((2,3,5,6-tetramethylphenyl)thio)-, ethyl ester?
The CAS number of Butyric acid, 2-((2,3,5,6-tetramethylphenyl)thio)-, ethyl ester is 72462-76-1.
What is the molecular formula of Butyric acid, 2-((2,3,5,6-tetramethylphenyl)thio)-, ethyl ester?
The molecular formula of Butyric acid, 2-((2,3,5,6-tetramethylphenyl)thio)-, ethyl ester is C16H24O2S.
What is the molecular weight of Butyric acid, 2-((2,3,5,6-tetramethylphenyl)thio)-, ethyl ester?
The molecular weight of Butyric acid, 2-((2,3,5,6-tetramethylphenyl)thio)-, ethyl ester is 280.1497 g/mol.
Where can I buy Butyric acid, 2-((2,3,5,6-tetramethylphenyl)thio)-, ethyl ester?
You can request a quote for Butyric acid, 2-((2,3,5,6-tetramethylphenyl)thio)-, ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Butyric acid, 2-((2,3,5,6-tetramethylphenyl)thio)-, ethyl ester?
Yes, CoreyChem provides custom synthesis services for Butyric acid, 2-((2,3,5,6-tetramethylphenyl)thio)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.