3,4-dihydroxyphenyltyruvic acid
TL;DR: 3,4-dihydroxyphenyltyruvic acid (CAS 109171-60-0) is a chemical compound with molecular formula C17H30ClNO2S and molecular weight 347.16858 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3-methylthiophen-2-yl)oxy-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol;hydrochloride
Also Known As: 3,4-dihydroxyphenyltyruvic acid, 7,8-Dichloro-4-hydroxyquinoline, 1-Piperidineethanol, alpha-(((3-methyl-2-thienyl)oxy)methyl)-2,2,6,6-tetramethyl-, hydrochloride, alpha-(((3-Methyl-2-thienyl)oxy)methyl)-2,2,6,6-tetramethyl-1-piperidineethanol HCl, 1-(3-methylthiophen-2-yl)oxy-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol;hydrochloride
Technical Specifications
| Molecular Formula | C17H30ClNO2S |
| Molecular Weight | 347.16858 g/mol |
| XLogP | 4.26112 |
| Topological Polar Surface Area (TPSA) | 60.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 347.16858 Da |
| Heavy Atoms | 22 |
| Complexity | 330.0 |
| SMILES | CC1=C(SC=C1)OCC(CN2C(CCCC2(C)C)(C)C)O.Cl |
| InChIKey | LWJKDVGFWPMHNN-UHFFFAOYSA-N |
Chemical Property Profile of 3,4-dihydroxyphenyltyruvic acid
Property Insights of 3,4-dihydroxyphenyltyruvic acid
The XLogP value of 4.26112 indicates that 3,4-dihydroxyphenyltyruvic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-dihydroxyphenyltyruvic acid. Following Lipinski's Rule of Five, 3,4-dihydroxyphenyltyruvic acid has 2 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 3,4-dihydroxyphenyltyruvic acid?
The CAS number of 3,4-dihydroxyphenyltyruvic acid is 109171-60-0.
What is the molecular formula of 3,4-dihydroxyphenyltyruvic acid?
The molecular formula of 3,4-dihydroxyphenyltyruvic acid is C17H30ClNO2S.
What is the molecular weight of 3,4-dihydroxyphenyltyruvic acid?
The molecular weight of 3,4-dihydroxyphenyltyruvic acid is 347.16858 g/mol.
Where can I buy 3,4-dihydroxyphenyltyruvic acid?
You can request a quote for 3,4-dihydroxyphenyltyruvic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,4-dihydroxyphenyltyruvic acid?
Yes, CoreyChem provides custom synthesis services for 3,4-dihydroxyphenyltyruvic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.