Mandelic acid, alpha-(1-butynyl)-, 2-methyl-3-quinuclidinyl ester
TL;DR: Mandelic acid, alpha-(1-butynyl)-, 2-methyl-3-quinuclidinyl ester (CAS 92956-08-6) is a chemical compound with molecular formula C20H25NO3 and molecular weight 327.18344 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-phenylhex-3-ynoate
Also Known As: 2-Methyl-3-quinuclidyl phenyl(1-butynyl)glycolate, NCI60_022753, alpha-(1-Butynyl)mandelic acid 2-methyl-3-quinuclidinyl ester, MANDELIC ACID, alpha-(1-BUTYNYL)-, 2-METHYL-3-QUINUCLIDINYL ESTER, (2-methylquinuclidin-3-yl) 2-hydroxy-2-phenyl-hex-3-ynoate
Technical Specifications
| Molecular Formula | C20H25NO3 |
| Molecular Weight | 327.18344 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 327.18344 Da |
| Heavy Atoms | 24 |
| Complexity | 519.0 |
| SMILES | CCC#CC(C1=CC=CC=C1)(C(=O)OC2C(N3CCC2CC3)C)O |
| InChIKey | VOCRJOMVKAJZBC-UHFFFAOYSA-N |
Chemical Property Profile of Mandelic acid, alpha-(1-butynyl)-, 2-methyl-3-quinuclidinyl ester
Property Insights of Mandelic acid, alpha-(1-butynyl)-, 2-methyl-3-quinuclidinyl ester
The XLogP value of 3.3 indicates that Mandelic acid, alpha-(1-butynyl)-, 2-methyl-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-(1-butynyl)-, 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-butynyl)-, 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-butynyl)-, 2-methyl-3-quinuclidinyl ester?
The CAS number of Mandelic acid, alpha-(1-butynyl)-, 2-methyl-3-quinuclidinyl ester is 92956-08-6.
What is the molecular formula of Mandelic acid, alpha-(1-butynyl)-, 2-methyl-3-quinuclidinyl ester?
The molecular formula of Mandelic acid, alpha-(1-butynyl)-, 2-methyl-3-quinuclidinyl ester is C20H25NO3.
What is the molecular weight of Mandelic acid, alpha-(1-butynyl)-, 2-methyl-3-quinuclidinyl ester?
The molecular weight of Mandelic acid, alpha-(1-butynyl)-, 2-methyl-3-quinuclidinyl ester is 327.18344 g/mol.
Where can I buy Mandelic acid, alpha-(1-butynyl)-, 2-methyl-3-quinuclidinyl ester?
You can request a quote for Mandelic acid, alpha-(1-butynyl)-, 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-butynyl)-, 2-methyl-3-quinuclidinyl ester?
Yes, CoreyChem provides custom synthesis services for Mandelic acid, alpha-(1-butynyl)-, 2-methyl-3-quinuclidinyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.