Mandelic acid, alpha-cyclopentyl-, 2-ethyl-3-quinuclidinyl ester
TL;DR: Mandelic acid, alpha-cyclopentyl-, 2-ethyl-3-quinuclidinyl ester (CAS 101710-81-0) is a chemical compound with molecular formula C22H31NO3 and molecular weight 357.2304 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2-ethyl-1-azabicyclo[2.2.2]octan-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate
Also Known As: 2-Ethyl-3-quinuclidyl alpha-cyclopentyl-alpha-phenylglycolate, MANDELIC ACID, alpha-CYCLOPENTYL-, 2-ETHYL-3-QUINUCLIDINYL ESTER, 2-ethyl-1-azabicyclo[2.2.2]oct-3-yl cyclopentyl(hydroxy)phenylacetate, 2-Ethyl-1-azabicyclo[2.2.2]octan-3-yl cyclopentyl(hydroxy)(phenyl)acetate, 2-Ethyl-1-azabicyclo[2.2.2]octan-3-yl cyclopentyl(hydroxy)phenylacetate
Technical Specifications
| Molecular Formula | C22H31NO3 |
| Molecular Weight | 357.2304 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 357.2304 Da |
| Heavy Atoms | 26 |
| Complexity | 490.0 |
| SMILES | CCC1C(C2CCN1CC2)OC(=O)C(C3CCCC3)(C4=CC=CC=C4)O |
| InChIKey | LQUMWUWRYAYFRB-UHFFFAOYSA-N |
Chemical Property Profile of Mandelic acid, alpha-cyclopentyl-, 2-ethyl-3-quinuclidinyl ester
Property Insights of Mandelic acid, alpha-cyclopentyl-, 2-ethyl-3-quinuclidinyl ester
The XLogP value of 4.4 indicates that Mandelic acid, alpha-cyclopentyl-, 2-ethyl-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-cyclopentyl-, 2-ethyl-3-quinuclidinyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Mandelic acid, alpha-cyclopentyl-, 2-ethyl-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-cyclopentyl-, 2-ethyl-3-quinuclidinyl ester?
The CAS number of Mandelic acid, alpha-cyclopentyl-, 2-ethyl-3-quinuclidinyl ester is 101710-81-0.
What is the molecular formula of Mandelic acid, alpha-cyclopentyl-, 2-ethyl-3-quinuclidinyl ester?
The molecular formula of Mandelic acid, alpha-cyclopentyl-, 2-ethyl-3-quinuclidinyl ester is C22H31NO3.
What is the molecular weight of Mandelic acid, alpha-cyclopentyl-, 2-ethyl-3-quinuclidinyl ester?
The molecular weight of Mandelic acid, alpha-cyclopentyl-, 2-ethyl-3-quinuclidinyl ester is 357.2304 g/mol.
Where can I buy Mandelic acid, alpha-cyclopentyl-, 2-ethyl-3-quinuclidinyl ester?
You can request a quote for Mandelic acid, alpha-cyclopentyl-, 2-ethyl-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-cyclopentyl-, 2-ethyl-3-quinuclidinyl ester?
Yes, CoreyChem provides custom synthesis services for Mandelic acid, alpha-cyclopentyl-, 2-ethyl-3-quinuclidinyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.