Mandelic acid, alpha-phenethyl-, 1-methyl-3-piperidyl ester
TL;DR: Mandelic acid, alpha-phenethyl-, 1-methyl-3-piperidyl ester (CAS 101711-12-0) is a chemical compound with molecular formula C22H27NO3 and molecular weight 353.1991 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1-methylpiperidin-3-yl) 2-hydroxy-2,4-diphenylbutanoate
Also Known As: 1-Methyl-4-piperidyl phenyl(2-phenylethyl)glycolate, MANDELIC ACID, alpha-PHENETHYL-, 1-METHYL-3-PIPERIDYL ESTER, 1-methylpiperidin-3-yl 2-hydroxy-2,4-diphenylbutanoate, (1-methylpiperidin-3-yl) 2-hydroxy-2,4-diphenylbutanoate
Technical Specifications
| Molecular Formula | C22H27NO3 |
| Molecular Weight | 353.1991 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 353.1991 Da |
| Heavy Atoms | 26 |
| Complexity | 443.0 |
| SMILES | CN1CCCC(C1)OC(=O)C(CCC2=CC=CC=C2)(C3=CC=CC=C3)O |
| InChIKey | NSARELXWXYQLNV-UHFFFAOYSA-N |
Chemical Property Profile of Mandelic acid, alpha-phenethyl-, 1-methyl-3-piperidyl ester
Property Insights of Mandelic acid, alpha-phenethyl-, 1-methyl-3-piperidyl ester
The XLogP value of 3.9 indicates that Mandelic acid, alpha-phenethyl-, 1-methyl-3-piperidyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.8 Ų, Mandelic acid, alpha-phenethyl-, 1-methyl-3-piperidyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Mandelic acid, alpha-phenethyl-, 1-methyl-3-piperidyl ester 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 Mandelic acid, alpha-phenethyl-, 1-methyl-3-piperidyl ester?
The CAS number of Mandelic acid, alpha-phenethyl-, 1-methyl-3-piperidyl ester is 101711-12-0.
What is the molecular formula of Mandelic acid, alpha-phenethyl-, 1-methyl-3-piperidyl ester?
The molecular formula of Mandelic acid, alpha-phenethyl-, 1-methyl-3-piperidyl ester is C22H27NO3.
What is the molecular weight of Mandelic acid, alpha-phenethyl-, 1-methyl-3-piperidyl ester?
The molecular weight of Mandelic acid, alpha-phenethyl-, 1-methyl-3-piperidyl ester is 353.1991 g/mol.
Where can I buy Mandelic acid, alpha-phenethyl-, 1-methyl-3-piperidyl ester?
You can request a quote for Mandelic acid, alpha-phenethyl-, 1-methyl-3-piperidyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Mandelic acid, alpha-phenethyl-, 1-methyl-3-piperidyl ester?
Yes, CoreyChem provides custom synthesis services for Mandelic acid, alpha-phenethyl-, 1-methyl-3-piperidyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.