3,4-dihydroxyphenyltyruvic acid
TL;DR: 3,4-dihydroxyphenyltyruvic acid (CAS 109171-70-2) is a chemical compound with molecular formula C17H30ClNO2S and molecular weight 347.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methylthiophen-3-yl)oxy-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol;hydrochloride
Also Known As: 3,4-dihydroxyphenyltyruvic acid, 1-Piperidineethanol, alpha-(((4-methyl-3-thienyl)oxy)methyl)-2,2,6,6-tetramethyl-, hydrochloride, alpha-(((4-Methyl-3-thienyl)oxy)methyl)-2,2,6,6-tetramethyl-1-piperidineethanol HCl, 1-(4-methylthiophen-3-yl)oxy-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol;hydrochloride, 1-Piperidineethanol, alpha-(((4-methyl-3-thienyl)oxy)methyl)-2,2,6,6-t etramethyl-, hydrochloride
| Molecular Formula | C17H30ClNO2S |
|---|---|
| Molecular Weight | 347.17 g/mol |
| LogP | 4.26112 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 347.16858 |
| Heavy Atoms | 22 |
| Complexity | 456.9789 |
Chemical Identifiers
| CAS Number | 109171-70-2 |
|---|---|
| SMILES | CC1=CSC=C1OCC(CN2C(CCCC2(C)C)(C)C)O.Cl |
Product Overview
3,4-dihydroxyphenyltyruvic acid (CAS 109171-70-2), with molecular formula C17H30ClNO2S and molecular weight 347.17 g/mol. IUPAC: 1-(4-methylthiophen-3-yl)oxy-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol;hydrochloride.
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. With a topological polar surface area (TPSA) of 32.7 Ų, 3,4-dihydroxyphenyltyruvic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-dihydroxyphenyltyruvic 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
Frequently Asked Questions
What is the CAS number of 3,4-dihydroxyphenyltyruvic acid?
The CAS number of 3,4-dihydroxyphenyltyruvic acid is 109171-70-2.
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 347.17 g/mol.
Where can I buy 3,4-dihydroxyphenyltyruvic acid?
You can request a quote for 3,4-dihydroxyphenyltyruvic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-dihydroxyphenyltyruvic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,4-dihydroxyphenyltyruvic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.