Mandelic acid, alpha-phenethyl-, 3-quinuclidinyl ester
TL;DR: Mandelic acid, alpha-phenethyl-, 3-quinuclidinyl ester (CAS 101711-13-1) is a chemical compound with molecular formula C23H27NO3 and molecular weight 365.1991 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2,4-diphenylbutanoate
Also Known As: 3-Quinuclidyl phenyl(2-phenylethyl)glycolate, 1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2,4-diphenylbutanoate, MANDELIC ACID, alpha-PHENETHYL-, 3-QUINUCLIDINYL ESTER, 1-azabicyclo[2.2.2]oct-3-yl 2-hydroxy-2,4-diphenylbutanoate, 1-AZABICYCLO[2.2.2]OCT-8-YL 2-HYDROXY-2,4-DIPHENYL-BUTANOATE
Technical Specifications
| Molecular Formula | C23H27NO3 |
| Molecular Weight | 365.1991 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 | 365.1991 Da |
| Heavy Atoms | 27 |
| Complexity | 490.0 |
| SMILES | C1CN2CCC1C(C2)OC(=O)C(CCC3=CC=CC=C3)(C4=CC=CC=C4)O |
| InChIKey | GPVIJQIWNQUTQF-UHFFFAOYSA-N |
Chemical Property Profile of Mandelic acid, alpha-phenethyl-, 3-quinuclidinyl ester
Property Insights of Mandelic acid, alpha-phenethyl-, 3-quinuclidinyl ester
The XLogP value of 3.9 indicates that Mandelic acid, alpha-phenethyl-, 3-quinuclidinyl 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-, 3-quinuclidinyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Mandelic acid, alpha-phenethyl-, 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-phenethyl-, 3-quinuclidinyl ester?
The CAS number of Mandelic acid, alpha-phenethyl-, 3-quinuclidinyl ester is 101711-13-1.
What is the molecular formula of Mandelic acid, alpha-phenethyl-, 3-quinuclidinyl ester?
The molecular formula of Mandelic acid, alpha-phenethyl-, 3-quinuclidinyl ester is C23H27NO3.
What is the molecular weight of Mandelic acid, alpha-phenethyl-, 3-quinuclidinyl ester?
The molecular weight of Mandelic acid, alpha-phenethyl-, 3-quinuclidinyl ester is 365.1991 g/mol.
Where can I buy Mandelic acid, alpha-phenethyl-, 3-quinuclidinyl ester?
You can request a quote for Mandelic acid, alpha-phenethyl-, 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-phenethyl-, 3-quinuclidinyl ester?
Yes, CoreyChem provides custom synthesis services for Mandelic acid, alpha-phenethyl-, 3-quinuclidinyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.