Butyric acid, 4-((2,3,5,6-tetramethylphenyl)thio)-
TL;DR: Butyric acid, 4-((2,3,5,6-tetramethylphenyl)thio)- (CAS 72462-89-6) is a chemical compound with molecular formula C14H20O2S and molecular weight 252.11841 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(2,3,5,6-tetramethylphenyl)sulfanylbutanoic acid
Also Known As: 4-((2,3,5,6-Tetramethylphenyl)thio)butyric acid, BUTYRIC ACID, 4-((2,3,5,6-TETRAMETHYLPHENYL)THIO)-, 4-[(2,3,5,6-Tetramethylphenyl)thio]butyric acid, 4-(2,3,5,6-tetramethylphenyl)sulfanylbutanoic acid, 4-[(2,3,5,6-TETRAMETHYLPHENYL)SULFANYL]BUTANOIC ACID
Technical Specifications
| Molecular Formula | C14H20O2S |
| Molecular Weight | 252.11841 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 252.11841 Da |
| Heavy Atoms | 17 |
| Complexity | 241.0 |
| SMILES | CC1=CC(=C(C(=C1C)SCCCC(=O)O)C)C |
| InChIKey | KIHUGEVLOWELIG-UHFFFAOYSA-N |
Chemical Property Profile of Butyric acid, 4-((2,3,5,6-tetramethylphenyl)thio)-
Property Insights of Butyric acid, 4-((2,3,5,6-tetramethylphenyl)thio)-
The XLogP value of 3.7 indicates that Butyric acid, 4-((2,3,5,6-tetramethylphenyl)thio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyric acid, 4-((2,3,5,6-tetramethylphenyl)thio)-. Following Lipinski's Rule of Five, Butyric acid, 4-((2,3,5,6-tetramethylphenyl)thio)- has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Butyric acid, 4-((2,3,5,6-tetramethylphenyl)thio)-?
The CAS number of Butyric acid, 4-((2,3,5,6-tetramethylphenyl)thio)- is 72462-89-6.
What is the molecular formula of Butyric acid, 4-((2,3,5,6-tetramethylphenyl)thio)-?
The molecular formula of Butyric acid, 4-((2,3,5,6-tetramethylphenyl)thio)- is C14H20O2S.
What is the molecular weight of Butyric acid, 4-((2,3,5,6-tetramethylphenyl)thio)-?
The molecular weight of Butyric acid, 4-((2,3,5,6-tetramethylphenyl)thio)- is 252.11841 g/mol.
Where can I buy Butyric acid, 4-((2,3,5,6-tetramethylphenyl)thio)-?
You can request a quote for Butyric acid, 4-((2,3,5,6-tetramethylphenyl)thio)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Butyric acid, 4-((2,3,5,6-tetramethylphenyl)thio)-?
Yes, CoreyChem provides custom synthesis services for Butyric acid, 4-((2,3,5,6-tetramethylphenyl)thio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.