4-Thioanisyl-2-biphenylyl-3-hydroxypropionic acid
TL;DR: 4-Thioanisyl-2-biphenylyl-3-hydroxypropionic acid (CAS 141857-29-6) is a chemical compound with molecular formula C22H20O3S and molecular weight 364.1133 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-methylsulfanylphenyl) 3-hydroxy-2-(2-phenylphenyl)propanoate
Also Known As: 4-Tabhp, 4-Thioanisyl-2-biphenylyl-3-hydroxypropionic acid, (4-methylsulfanylphenyl) 3-hydroxy-2-(2-phenylphenyl)propanoate, 4-(Methylsulfanyl)phenyl 2-([1,1'-biphenyl]-2-yl)-3-hydroxypropanoate
Technical Specifications
| Molecular Formula | C22H20O3S |
| Molecular Weight | 364.1133 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 71.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 364.1133 Da |
| Heavy Atoms | 26 |
| Complexity | 427.0 |
| SMILES | CSC1=CC=C(C=C1)OC(=O)C(CO)C2=CC=CC=C2C3=CC=CC=C3 |
| InChIKey | JCWFSMUGRVUCQK-UHFFFAOYSA-N |
Chemical Property Profile of 4-Thioanisyl-2-biphenylyl-3-hydroxypropionic acid
Property Insights of 4-Thioanisyl-2-biphenylyl-3-hydroxypropionic acid
The XLogP value of 4.8 indicates that 4-Thioanisyl-2-biphenylyl-3-hydroxypropionic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Thioanisyl-2-biphenylyl-3-hydroxypropionic acid. Following Lipinski's Rule of Five, 4-Thioanisyl-2-biphenylyl-3-hydroxypropionic acid has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Thioanisyl-2-biphenylyl-3-hydroxypropionic acid?
The CAS number of 4-Thioanisyl-2-biphenylyl-3-hydroxypropionic acid is 141857-29-6.
What is the molecular formula of 4-Thioanisyl-2-biphenylyl-3-hydroxypropionic acid?
The molecular formula of 4-Thioanisyl-2-biphenylyl-3-hydroxypropionic acid is C22H20O3S.
What is the molecular weight of 4-Thioanisyl-2-biphenylyl-3-hydroxypropionic acid?
The molecular weight of 4-Thioanisyl-2-biphenylyl-3-hydroxypropionic acid is 364.1133 g/mol.
Where can I buy 4-Thioanisyl-2-biphenylyl-3-hydroxypropionic acid?
You can request a quote for 4-Thioanisyl-2-biphenylyl-3-hydroxypropionic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Thioanisyl-2-biphenylyl-3-hydroxypropionic acid?
Yes, CoreyChem provides custom synthesis services for 4-Thioanisyl-2-biphenylyl-3-hydroxypropionic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.