Mandelic acid, alpha-(1-butynyl)-, 1-methyl-4-piperidyl ester
TL;DR: Mandelic acid, alpha-(1-butynyl)-, 1-methyl-4-piperidyl ester (CAS 92956-50-8) is a chemical compound with molecular formula C18H23NO3 and molecular weight 301.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-methylpiperidin-4-yl) 2-hydroxy-2-phenylhex-3-ynoate
Also Known As: 1-Methyl-4-piperidyl phenyl(1-butynyl)glycolate, alpha-(1-Butynyl)mandelic acid 1-methyl-4-piperidyl ester, MANDELIC ACID, alpha-(1-BUTYNYL)-, 1-METHYL-4-PIPERIDYL ESTER, 1-methylpiperidin-4-yl 2-hydroxy-2-phenylhex-3-ynoate, (1-methylpiperidin-4-yl) 2-hydroxy-2-phenylhex-3-ynoate
| Molecular Formula | C18H23NO3 |
|---|---|
| Molecular Weight | 301.17 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 301.1678 |
| Heavy Atoms | 22 |
| Complexity | 436.0 |
Chemical Identifiers
| CAS Number | 92956-50-8 |
|---|---|
| SMILES | CCC#CC(C1=CC=CC=C1)(C(=O)OC2CCN(CC2)C)O |
| InChIKey | ZPVLLYIPOTZZJE-UHFFFAOYSA-N |
Product Overview
Mandelic acid, alpha-(1-butynyl)-, 1-methyl-4-piperidyl ester (CAS 92956-50-8), with molecular formula C18H23NO3 and molecular weight 301.17 g/mol. IUPAC: (1-methylpiperidin-4-yl) 2-hydroxy-2-phenylhex-3-ynoate.
Chemical Property Profile of Mandelic acid, alpha-(1-butynyl)-, 1-methyl-4-piperidyl ester
Property Insights of Mandelic acid, alpha-(1-butynyl)-, 1-methyl-4-piperidyl ester
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Mandelic acid, alpha-(1-butynyl)-, 1-methyl-4-piperidyl ester. With a topological polar surface area (TPSA) of 49.8 Ų, Mandelic acid, alpha-(1-butynyl)-, 1-methyl-4-piperidyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Mandelic acid, alpha-(1-butynyl)-, 1-methyl-4-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
Frequently Asked Questions
What is the CAS number of Mandelic acid, alpha-(1-butynyl)-, 1-methyl-4-piperidyl ester?
The CAS number of Mandelic acid, alpha-(1-butynyl)-, 1-methyl-4-piperidyl ester is 92956-50-8.
What is the molecular formula of Mandelic acid, alpha-(1-butynyl)-, 1-methyl-4-piperidyl ester?
The molecular formula of Mandelic acid, alpha-(1-butynyl)-, 1-methyl-4-piperidyl ester is C18H23NO3.
What is the molecular weight of Mandelic acid, alpha-(1-butynyl)-, 1-methyl-4-piperidyl ester?
The molecular weight of Mandelic acid, alpha-(1-butynyl)-, 1-methyl-4-piperidyl ester is 301.17 g/mol.
Where can I buy Mandelic acid, alpha-(1-butynyl)-, 1-methyl-4-piperidyl ester?
You can request a quote for Mandelic acid, alpha-(1-butynyl)-, 1-methyl-4-piperidyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mandelic acid, alpha-(1-butynyl)-, 1-methyl-4-piperidyl ester?
Yes, KEHONG BIO provides custom synthesis services for Mandelic acid, alpha-(1-butynyl)-, 1-methyl-4-piperidyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.