Mandelic acid, alpha-(1-propynyl)-, 2-methyl-3-quinuclidinyl ester
TL;DR: Mandelic acid, alpha-(1-propynyl)-, 2-methyl-3-quinuclidinyl ester (CAS 101711-18-6) is a chemical compound with molecular formula C19H23NO3 and molecular weight 313.1678 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2-methyl-1-azabicyclo[2.2.2]octan-3-yl) 2-hydroxy-2-phenylpent-3-ynoate
Also Known As: 2-Methyl-3-quinuclidyl phenyl(1-propynyl)glycolate, MANDELIC ACID, alpha-(1-PROPYNYL)-, 2-METHYL-3-QUINUCLIDINYL ESTER, (2-methyl-1-azabicyclo[2.2.2]octan-3-yl) 2-hydroxy-2-phenylpent-3-ynoate, 2-methyl-1-azabicyclo[2.2.2]oct-3-yl 2-hydroxy-2-phenylpent-3-ynoate, (1r,4r)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2-phenylpent-3-ynoate
Technical Specifications
| Molecular Formula | C19H23NO3 |
| Molecular Weight | 313.1678 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 313.1678 Da |
| Heavy Atoms | 23 |
| Complexity | 505.0 |
| SMILES | CC#CC(C1=CC=CC=C1)(C(=O)OC2C(N3CCC2CC3)C)O |
| InChIKey | NXXSDGZHVJSMIG-UHFFFAOYSA-N |
Chemical Property Profile of Mandelic acid, alpha-(1-propynyl)-, 2-methyl-3-quinuclidinyl ester
Property Insights of Mandelic acid, alpha-(1-propynyl)-, 2-methyl-3-quinuclidinyl ester
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Mandelic acid, alpha-(1-propynyl)-, 2-methyl-3-quinuclidinyl ester. With a topological polar surface area (TPSA) of 49.8 Ų, Mandelic acid, alpha-(1-propynyl)-, 2-methyl-3-quinuclidinyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Mandelic acid, alpha-(1-propynyl)-, 2-methyl-3-quinuclidinyl 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-(1-propynyl)-, 2-methyl-3-quinuclidinyl ester?
The CAS number of Mandelic acid, alpha-(1-propynyl)-, 2-methyl-3-quinuclidinyl ester is 101711-18-6.
What is the molecular formula of Mandelic acid, alpha-(1-propynyl)-, 2-methyl-3-quinuclidinyl ester?
The molecular formula of Mandelic acid, alpha-(1-propynyl)-, 2-methyl-3-quinuclidinyl ester is C19H23NO3.
What is the molecular weight of Mandelic acid, alpha-(1-propynyl)-, 2-methyl-3-quinuclidinyl ester?
The molecular weight of Mandelic acid, alpha-(1-propynyl)-, 2-methyl-3-quinuclidinyl ester is 313.1678 g/mol.
Where can I buy Mandelic acid, alpha-(1-propynyl)-, 2-methyl-3-quinuclidinyl ester?
You can request a quote for Mandelic acid, alpha-(1-propynyl)-, 2-methyl-3-quinuclidinyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Mandelic acid, alpha-(1-propynyl)-, 2-methyl-3-quinuclidinyl ester?
Yes, CoreyChem provides custom synthesis services for Mandelic acid, alpha-(1-propynyl)-, 2-methyl-3-quinuclidinyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.