Mandelic acid, alpha-(3-methyl-1-pentynyl)-, 1-methyl-4-piperidyl ester
TL;DR: Mandelic acid, alpha-(3-methyl-1-pentynyl)-, 1-methyl-4-piperidyl ester (CAS 101711-09-5) is a chemical compound with molecular formula C20H27NO3 and molecular weight 329.1991 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1-methylpiperidin-4-yl) 2-hydroxy-5-methyl-2-phenylhept-3-ynoate
Also Known As: 1H-Inden-1-one, 5-bromo-, 1-Methyl-4-piperidyl phenyl(3-methyl-1-pentynyl)glycolate, (1-methylpiperidin-4-yl) 2-hydroxy-5-methyl-2-phenylhept-3-ynoate, 1-methylpiperidin-4-yl 2-hydroxy-5-methyl-2-phenylhept-3-ynoate, MANDELIC ACID, alpha-(3-METHYL-1-PENTYNYL)-, 1-METHYL-4-PIPERIDYL ESTER
Technical Specifications
| Molecular Formula | C20H27NO3 |
| Molecular Weight | 329.1991 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 329.1991 Da |
| Heavy Atoms | 24 |
| Complexity | 478.0 |
| SMILES | CCC(C)C#CC(C1=CC=CC=C1)(C(=O)OC2CCN(CC2)C)O |
| InChIKey | HDUXUOVCPBZSCM-UHFFFAOYSA-N |
Chemical Property Profile of Mandelic acid, alpha-(3-methyl-1-pentynyl)-, 1-methyl-4-piperidyl ester
Property Insights of Mandelic acid, alpha-(3-methyl-1-pentynyl)-, 1-methyl-4-piperidyl ester
The XLogP value of 3.7 indicates that Mandelic acid, alpha-(3-methyl-1-pentynyl)-, 1-methyl-4-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-(3-methyl-1-pentynyl)-, 1-methyl-4-piperidyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Mandelic acid, alpha-(3-methyl-1-pentynyl)-, 1-methyl-4-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-(3-methyl-1-pentynyl)-, 1-methyl-4-piperidyl ester?
The CAS number of Mandelic acid, alpha-(3-methyl-1-pentynyl)-, 1-methyl-4-piperidyl ester is 101711-09-5.
What is the molecular formula of Mandelic acid, alpha-(3-methyl-1-pentynyl)-, 1-methyl-4-piperidyl ester?
The molecular formula of Mandelic acid, alpha-(3-methyl-1-pentynyl)-, 1-methyl-4-piperidyl ester is C20H27NO3.
What is the molecular weight of Mandelic acid, alpha-(3-methyl-1-pentynyl)-, 1-methyl-4-piperidyl ester?
The molecular weight of Mandelic acid, alpha-(3-methyl-1-pentynyl)-, 1-methyl-4-piperidyl ester is 329.1991 g/mol.
Where can I buy Mandelic acid, alpha-(3-methyl-1-pentynyl)-, 1-methyl-4-piperidyl ester?
You can request a quote for Mandelic acid, alpha-(3-methyl-1-pentynyl)-, 1-methyl-4-piperidyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Mandelic acid, alpha-(3-methyl-1-pentynyl)-, 1-methyl-4-piperidyl ester?
Yes, CoreyChem provides custom synthesis services for Mandelic acid, alpha-(3-methyl-1-pentynyl)-, 1-methyl-4-piperidyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.