3-(3-tert-Butyl-4-hydroxyphenyl)propionic acid
TL;DR: 3-(3-tert-Butyl-4-hydroxyphenyl)propionic acid (CAS 107551-67-7) is a chemical compound with molecular formula C13H18O3 and molecular weight 222.1256 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(3-tert-butyl-4-hydroxyphenyl)propanoic acid
Also Known As: 3-(3-(tert-Butyl)-4-hydroxyphenyl)propanoic acid, 3-(3-tert-butyl-4-hydroxyphenyl)propanoic acid, 3-(3-tert-Butyl-4-hydroxyphenyl)propionic acid, 1569AA, EC 403-920-4
Technical Specifications
| Molecular Formula | C13H18O3 |
| Molecular Weight | 222.1256 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 222.1256 Da |
| Heavy Atoms | 16 |
| Complexity | 242.0 |
| SMILES | CC(C)(C)C1=C(C=CC(=C1)CCC(=O)O)O |
| InChIKey | FZQRSWHPNZTNQQ-UHFFFAOYSA-N |
Chemical Property Profile of 3-(3-tert-Butyl-4-hydroxyphenyl)propionic acid
Property Insights of 3-(3-tert-Butyl-4-hydroxyphenyl)propionic acid
The XLogP value of 3.0 indicates that 3-(3-tert-Butyl-4-hydroxyphenyl)propionic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, 3-(3-tert-Butyl-4-hydroxyphenyl)propionic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-tert-Butyl-4-hydroxyphenyl)propionic acid has 2 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 3-(3-tert-Butyl-4-hydroxyphenyl)propionic acid?
The CAS number of 3-(3-tert-Butyl-4-hydroxyphenyl)propionic acid is 107551-67-7.
What is the molecular formula of 3-(3-tert-Butyl-4-hydroxyphenyl)propionic acid?
The molecular formula of 3-(3-tert-Butyl-4-hydroxyphenyl)propionic acid is C13H18O3.
What is the molecular weight of 3-(3-tert-Butyl-4-hydroxyphenyl)propionic acid?
The molecular weight of 3-(3-tert-Butyl-4-hydroxyphenyl)propionic acid is 222.1256 g/mol.
Where can I buy 3-(3-tert-Butyl-4-hydroxyphenyl)propionic acid?
You can request a quote for 3-(3-tert-Butyl-4-hydroxyphenyl)propionic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(3-tert-Butyl-4-hydroxyphenyl)propionic acid?
Yes, CoreyChem provides custom synthesis services for 3-(3-tert-Butyl-4-hydroxyphenyl)propionic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.