Mandelic acid, alpha-cyclohexyl-, 1-ethyl-3-piperidyl ester
TL;DR: Mandelic acid, alpha-cyclohexyl-, 1-ethyl-3-piperidyl ester (CAS 63917-13-5) is a chemical compound with molecular formula C21H31NO3 and molecular weight 345.2304 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1-ethylpiperidin-3-yl) 2-cyclohexyl-2-hydroxy-2-phenylacetate
Also Known As: JB 328, 1-Ethyl-3-piperidyl-alpha-cyclohexyl mandelate, MANDELIC ACID, alpha-CYCLOHEXYL-, 1-ETHYL-3-PIPERIDYL ESTER, 4-21-00-00028 (Beilstein Handbook Reference), (1-ethylpiperidin-3-yl) 2-cyclohexyl-2-hydroxy-2-phenylacetate
Technical Specifications
| Molecular Formula | C21H31NO3 |
| Molecular Weight | 345.2304 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 345.2304 Da |
| Heavy Atoms | 25 |
| Complexity | 429.0 |
| SMILES | CCN1CCCC(C1)OC(=O)C(C2CCCCC2)(C3=CC=CC=C3)O |
| InChIKey | PPNCDMBYKKWNCV-UHFFFAOYSA-N |
Chemical Property Profile of Mandelic acid, alpha-cyclohexyl-, 1-ethyl-3-piperidyl ester
Property Insights of Mandelic acid, alpha-cyclohexyl-, 1-ethyl-3-piperidyl ester
The XLogP value of 4.3 indicates that Mandelic acid, alpha-cyclohexyl-, 1-ethyl-3-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-cyclohexyl-, 1-ethyl-3-piperidyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Mandelic acid, alpha-cyclohexyl-, 1-ethyl-3-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-cyclohexyl-, 1-ethyl-3-piperidyl ester?
The CAS number of Mandelic acid, alpha-cyclohexyl-, 1-ethyl-3-piperidyl ester is 63917-13-5.
What is the molecular formula of Mandelic acid, alpha-cyclohexyl-, 1-ethyl-3-piperidyl ester?
The molecular formula of Mandelic acid, alpha-cyclohexyl-, 1-ethyl-3-piperidyl ester is C21H31NO3.
What is the molecular weight of Mandelic acid, alpha-cyclohexyl-, 1-ethyl-3-piperidyl ester?
The molecular weight of Mandelic acid, alpha-cyclohexyl-, 1-ethyl-3-piperidyl ester is 345.2304 g/mol.
Where can I buy Mandelic acid, alpha-cyclohexyl-, 1-ethyl-3-piperidyl ester?
You can request a quote for Mandelic acid, alpha-cyclohexyl-, 1-ethyl-3-piperidyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Mandelic acid, alpha-cyclohexyl-, 1-ethyl-3-piperidyl ester?
Yes, CoreyChem provides custom synthesis services for Mandelic acid, alpha-cyclohexyl-, 1-ethyl-3-piperidyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.